Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8436276 | 0.99 | GLA (0.43) | GLAKDM4EALDH1A1USP2LMNA | |
| SCHEMBL3919119 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNACYP1A2CYP3A4TSHR | |
| SCHEMBL8436343 | 0.78 | KDM4E (0.41) | KDM4EALDH1A1USP2LMNACYP1A2 | |
| SCHEMBL28119946 | 0.78 | KDM4E (0.51) | GLAKDM4EALDH1A1TSHRMAPT | |
| SCHEMBL28119945 | 0.78 | KDM4E (0.51) | GLAKDM4EALDH1A1TSHRMAPT | |
| Hydrochloric Acid SCHEMBL8438565 | 0.77 | KDM4E (0.40) | KDM4EALDH1A1USP2LMNAADRB2 | |
| SCHEMBL3863528 | 0.77 | VDR (0.47) | ALDH1A1LMNAADRB2ADRB1CYP1A2 | |
| SCHEMBL8930628 | 0.77 | GLA (0.67) | GLAKDM4EALDH1A1LMNATSHR | |
| Hydrochloric Acid SCHEMBL3860889 | 0.76 | VDR (0.46) | ALDH1A1LMNAADRB2ADRB1CYP1A2 | |
| SCHEMBL6574847 | 0.76 | PDE3B (0.37) | CYP1A2ARVDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5865856-A | MIXTURE CONTAINING COUPLER AND DEVELOPER | WELLA AKTIENGESELLSCHAFT (DE) | 1999-02-02 | — | — | US | claimed |
| EP-0797980-A1 | Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds | Wella Aktiengesellschaft (DE) | 1997-10-01 | — | — | EP | claimed |
| US-5865856-A | MIXTURE CONTAINING COUPLER AND DEVELOPER | WELLA AKTIENGESELLSCHAFT (DE) | 1999-02-02 | — | — | US | disclosed |
| EP-0797980-A1 | Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds | Wella Aktiengesellschaft (DE) | 1997-10-01 | — | — | EP | disclosed |