Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 4/20 | 0.53 |
| ▸ | INCENP | Q9NQS7 | 4/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CCNC | P24863 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | TTK | P33981 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6572093 | 0.79 | PDE4A (0.50) | PDE3BPDE3ACYP3A4TSHRMAPK1 | |
| SCHEMBL7089008 | 0.78 | CYP2A6 (0.51) | AURKBINCENPCYP3A4ALDH1A1AURKA | |
| Hydrochloric Acid SCHEMBL6570955 | 0.78 | PDE4A (0.49) | PDE3BPDE3ACYP3A4TSHRMAPK1 | |
| SCHEMBL4477118 | 0.76 | CYP46A1 (0.50) | AURKBINCENPPDE3BPDE3ACYP3A4 | |
| SCHEMBL7089150 | 0.76 | NTRK1 (0.47) | AURKBINCENPPDE3BPDE3ACYP3A4 | |
| SCHEMBL3342706 | 0.73 | NTRK1 (0.55) | AURKBINCENPPDE3BPDE3ACYP3A4 | |
| SCHEMBL4529205 | 0.73 | CYP3A4 (0.71) | AURKBINCENPPDE3BPDE3ACYP3A4 | |
| SCHEMBL21627244 | 0.73 | PDE3B (0.55) | AURKBINCENPPDE3BPDE3ATSHR | |
| SCHEMBL11364141 | 0.73 | PDE3B (0.50) | AURKBINCENPPDE3BPDE3AFYN | |
| SCHEMBL7456810 | 0.73 | CYP2A6 (0.50) | CYP3A4TSHRMAPK1IMPDH2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1052252-B1 | Diaminobenzene derivatives and dyeing preparations containing them | WELLA AG (DE) | 2003-08-06 | — | — | EP | claimed |
| US-6461388-B1 | Diaminobenzene derivative compounds and dye compositions containing same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | claimed |
| EP-1052252-A1 | Diaminobenzene derivatives and dyeing preparations containing them | Wella Aktiengesellschaft (DE) | 2000-11-15 | — | — | EP | claimed |
| EP-1052252-B1 | Diaminobenzene derivatives and dyeing preparations containing them | WELLA AG (DE) | 2003-08-06 | — | — | EP | disclosed |
| US-6461388-B1 | Diaminobenzene derivative compounds and dye compositions containing same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1052252-A1 | Diaminobenzene derivatives and dyeing preparations containing them | Wella Aktiengesellschaft (DE) | 2000-11-15 | — | — | EP | disclosed |