Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28771697 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL936183 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL28663024 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL31681677 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL22042204 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL27722049 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL1775460 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL2977612 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL27709476 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL3108167 | 0.82 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117524351-A | Identification method of energetic molecular framework structure | 西安近代化学研究所 | 2024-02-06 | — | — | CN | disclosed |
| CN-108467370-A | Triazole naphthoquinones biaryl（It is miscellaneous）Ring derivatives | 四川大学 | 2018-08-31 | — | — | CN | disclosed |
| WO-2011009934-A1 | TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2011-01-27 | — | — | WO | disclosed |
| US-20100035871-A1 | BENZOXAZINE DERIVATIVES AND USES THEREOF | WYETH | 2010-02-11 | — | — | US | disclosed |
| US-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) | 2009-03-12 | — | — | US | disclosed |
| WO-2008052075-A2 | BENZOXAZINE DERIVATIVES AND USES THEREOF | WYETH (US) | 2008-05-02 | — | — | WO | disclosed |
| US-6054114-A | DIAGNOSING THE DEGREE OF PROGRESSION OF ALZHEIMER'S DISEASE IN A MAMMAL, MONITORING THE RESPONSE TO A THERAPY IN A MAMMAL HAVING ALZHEIMER'S DISEASE, IDENTIFYING AN AGENT USEFUL FOR TREATING ALZHEIMER'S DISEASE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-04-25 | — | — | US | disclosed |
| WO-1997041856-A9 | ORGANOMETALLIC LIGANDS FOR THE LOCALIZATION AND QUANTIFICATION OF AMYLOID IN VIVO AND $i(IN VITRO) | — | 1998-10-01 | — | — | WO | disclosed |
| WO-1997041856-A1 | ORGANOMETALLIC LIGANDS FOR THE LOCALIZATION AND QUANTIFICATION OF AMYLOID IN VIVO AND $i(IN VITRO) | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1997-11-13 | — | — | WO | 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 (2 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-20100035871-A1 | BENZOXAZINE DERIVATIVES AND USES THEREOF | HTR2C, HTR5A, NPY1R | ALDH1A1 1164/4885MAPK1 3830/4885TAAR1 186/4885 |
| US-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | PF4, AFF4, FLI1 | ALDH1A1 540/4885MAPK1 1982/4885TAAR1 1087/4885 |
“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.