Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL695298 | 0.84 | ESR2 (0.44) | CYP2A6CYP2B6ESR2ALDH1A1HPGD | |
| SCHEMBL618853 | 0.81 | BACE1 (0.39) | CYP2A6CYP2B6ALDH1A1HPGDNPC1 | |
| SCHEMBL1372192 | 0.79 | TSHR (0.41) | ALDH1A1HPGDTSHRNPC1RAB9A | |
| SCHEMBL6880077 | 0.77 | ALDH1A1 (0.41) | CYP2A6ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL3870533 | 0.77 | BACE1 (0.36) | CYP2A6CYP2B6ALDH1A1HPGDBACE1 | |
| SCHEMBL18832483 | 0.77 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL445102 | 0.77 | ALDH1A1 (0.41) | CYP2A6ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL6474583 | 0.77 | BACE1 (0.36) | CYP2A6CYP2B6ALDH1A1HPGDBACE1 | |
| SCHEMBL27629739 | 0.77 | ALDH1A1 (0.41) | CYP2A6ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL2196851 | 0.76 | BCL2L1 (0.54) | ESR2ALDH1A1HPGDTSHRKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0451873-B1 | Derivatives of 2,2-dimethyl cyclopropanecarboxylic acid substituted at c-3 by a saturated halogenated chain, process for their preparation and their use in the synthesis of pesticidal products | ROUSSEL UCLAF (FR) | 1995-03-08 | — | — | EP | claimed |
| US-20220384834-A1 | Redox Flow Cell for Storing Electrical Energy and Use Thereof | Jena Flow Batteries GmbH (DE) | 2022-12-01 | — | — | US | disclosed |
| US-11515557-B2 | Redox flow cell for storing electrical energy and use thereof | Jenabatteries GmbH (DE) | 2022-11-29 | — | — | US | disclosed |
| CN-115336029-A | Composition and light-emitting element containing same | 住友化学株式会社 | 2022-11-11 | — | — | CN | disclosed |
| US-20220052371-A1 | AQUEOUS ELECTROLYTE, REDOX FLOW BATTERY AND USE THEREOF | FRIEDRICH-SCHILLER-UNIVERSITAET JENA (DE) | 2022-02-17 | — | — | US | disclosed |
| US-20220020990-A1 | REDOX FLOW BATTERY FOR STORING ELECTRICAL ENERGY IN UNDERGROUND STORAGE MEANS, AND USE THEREOF | FRIEDRICH-SCHILLER-UNIVERSITAET JENA (DE) | 2022-01-20 | — | — | US | disclosed |
| EP-3888174-A2 | AQUEOUS ELECTROLYTE, REDOX FLOW BATTERY AND USE THEREOF | Friedrich-Schiller-Universität Jena (DE) | 2021-10-06 | — | — | EP | disclosed |
| EP-3888163-A2 | REDOX FLOW BATTERY FOR STORING ELECTRICAL ENERGY IN UNDERGROUND STORAGE MEANS, AND USE THEREOF | Friedrich-Schiller-Universität Jena (DE) | 2021-10-06 | — | — | EP | disclosed |
| EP-3888162-A1 | AQUEOUS ELECTROLYTE, REDOX FLOW BATTERY, AND USE OF SAME | Friedrich-Schiller-Universität Jena (DE) | 2021-10-06 | — | — | EP | disclosed |
| CN-113166098-A | Triazine compound, material for organic electroluminescent element, and organic electroluminescent element | 东曹株式会社 | 2021-07-23 | — | — | CN | disclosed |
| US-7148237-B2 | Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2006-12-12 | — | — | US | disclosed |
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2006-11-02 | — | — | US | disclosed |
| EP-1714966-A1 | NAPHTHYLIDINE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | Shionogi Co., Ltd. (JP) | 2006-10-25 | — | — | EP | disclosed |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | SHIONOGI & CO., LTD. (JP) | 2006-06-15 | — | — | US | disclosed |
| CN-1642879-A | Process for preparing diaryl compounds | SUMITOMO CHEMICAL CO (JP) | 2005-07-20 | — | — | CN | disclosed |
| EP-1541558-A1 | HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-20040127708-A1 | Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2004-07-01 | — | — | US | disclosed |
| EP-1375486-A1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2004-01-02 | — | — | EP | disclosed |
| CN-1237961-A | Aminoguanidines and alkoxyguanidines as protease inhibitors | DIMENSIONAL PHARM INC (US) | 1999-12-08 | — | — | CN | disclosed |
| EP-0451873-B1 | Derivatives of 2,2-dimethyl cyclopropanecarboxylic acid substituted at c-3 by a saturated halogenated chain, process for their preparation and their use in the synthesis of pesticidal products | ROUSSEL UCLAF (FR) | 1995-03-08 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | CYP3A7, CDK7, CYP2A7 | CYP2A6 299/4885CYP2B6 84/4885ESR2 1585/4885 |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | CYP3A7, CDK7, CYP2A7 | CYP2A6 295/4885CYP2B6 84/4885ESR2 1558/4885 |
| US-20040127708-A1 | Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity | DUT, PNP, INMT | CYP2A6 780/4885CYP2B6 356/4885ESR2 1830/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.