Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL8787259 | 0.81 | ALDH1A1 (0.46) | ADRA2AMTORADKNISCHMEN1 | |
| SCHEMBL2581028 | 0.77 | CYP19A1 (0.64) | CYP19A1APPHSD17B1HSD17B2KDM1A | |
| SCHEMBL845603 | 0.73 | APP (0.63) | CYP19A1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL29732980 | 0.73 | APP (0.63) | CYP19A1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL484134 | 0.72 | NPC1 (0.58) | MTORCDK2ALDH1A1 | |
| SCHEMBL17843576 | 0.72 | APP (0.49) | CYP19A1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL29415478 | 0.70 | CYP19A1 (0.60) | CYP19A1APPKDM1ACYP11B1CYP11B2 | |
| SCHEMBL403651 | 0.70 | CYP19A1 (0.60) | CYP19A1APPKDM1ACYP11B1CYP11B2 | |
| SCHEMBL3850573 | 0.70 | APP (0.44) | CYP19A1APPHSD17B1HSD17B2KDM1A | |
| SCHEMBL4791411 | 0.70 | NPC1 (0.56) | MTORADKNISCHCYP19A1APP |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602163-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | claimed |
| US-20090326006-A1 | Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors | VTVX HOLDINGS II LLC | 2009-12-31 | — | — | US | disclosed |
| EP-1257551-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001057038-A9 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | BASF AG (DE) | 2001-09-20 | — | — | WO | disclosed |
| WO-2001057038-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-09 | — | — | WO | disclosed |
| US-4447620-A | SYNTHETASES INHIBITORS, ANTICOAGULANTS, ANTIINFLAMMATORY AND ANTIULCER AGENTS | THE UPJOHN COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| EP-0069521-A2 | Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes | THE UPJOHN COMPANY (US) | 1983-01-12 | — | — | 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 (1 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-20090326006-A1 | Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors | BACE1, BACE2, APP | ADRA2A 2546/4885MTOR 2473/4885ADK 1873/4885 |
“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.