Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | KMO | O15229 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29487638 | 1.00 | CYP1A2 (0.62) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL1326630 | 0.89 | CYP1A2 (0.58) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL861732 | 0.87 | CYP1A2 (0.57) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL20083775 | 0.86 | CYP1A2 (0.55) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL29117331 | 0.86 | CYP1A2 (0.55) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL29487755 | 0.86 | CYP1A2 (0.47) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL13217 | 0.84 | RECQL (0.61) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL27997802 | 0.82 | RECQL (0.65) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL20083802 | 0.81 | CYP1A2 (0.62) | CYP1A2KMORECQLPOLBHSD17B10 | |
| SCHEMBL20083662 | 0.81 | CYP1A2 (0.62) | CYP1A2KMORECQLPOLBHSD17B10 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117203189-A | Process for preparing intermediates useful in the synthesis of sphingosine-1-phosphate receptor agonists | 株式会社LG化学 | 2023-12-08 | — | — | CN | disclosed |
| WO-2022187693-A1 | COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES | UMBRA THERAPEUTICS INC. (US) | 2022-09-09 | — | — | WO | disclosed |
| WO-2022035763-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | 5METIS, INC. (US) | 2022-02-17 | — | — | WO | disclosed |
| US-8748433-B2 | β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-10 | — | — | US | disclosed |
| WO-2014079155-A1 | USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES | 辽宁贝雷生物制药有限公司 (CN) | 2014-05-30 | — | — | WO | disclosed |
| WO-2013092979-A1 | ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS | ARES TRADING S.A. (CH) | 2013-06-27 | — | — | WO | disclosed |
| US-20110306597-A1 | Nicotinamide Derivatives | CRAWFORTH JAMES MICHAEL (GB) | 2011-12-15 | — | — | US | disclosed |
| WO-2009018657-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-12 | — | — | WO | disclosed |
| US-7226941-B2 | Compound for treating angiogenesis | HIF BIO, INC. (US) | 2007-06-05 | — | — | US | disclosed |
| US-20060122189-A1 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | SOLVAY PHARMACEUTICALS B.V. | 2006-06-08 | — | — | US | disclosed |
| US-20050187276-A1 | Compounds, compositions and methods | BIZBIOTECH CO., LTD. (KR) | 2005-08-25 | — | — | US | 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-20060122189-A1 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | HTR2C, HTR2A, HTR5A | CYP1A2 144/4885KMO 342/4885RECQL 3838/4885 |
| US-20110306597-A1 | Nicotinamide Derivatives | NNT, NAMPT, NQO1 | CYP1A2 397/4885KMO 787/4885RECQL 1299/4885 |
| US-20050187276-A1 | Compounds, compositions and methods | HIF1A, HIF1AN, EGLN3 | CYP1A2 2118/4885KMO 3344/4885RECQL 2932/4885 |
“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.