Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10828242 | 0.81 | PDK2 (0.44) | CYP2A6PDK2PDK4HPGDTSHR | |
| SCHEMBL9095354 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP2A6CA12CA1CA9 | |
| SCHEMBL6583214 | 0.78 | PDK2 (0.41) | PDK2PDK4MAOBALDH1A1KMT2A | |
| SCHEMBL8555134 | 0.77 | ALDH1A1 (0.37) | CYP3A4CYP2A6PDK2CA12CA1 | |
| SCHEMBL8557627 | 0.76 | PDK2 (0.46) | CYP3A4CYP2A6PDK2CA12CA1 | |
| SCHEMBL2266645 | 0.76 | KMT2A (0.49) | CYP3A4PDK2PDK4CA12CA1 | |
| SCHEMBL8560283 | 0.73 | KDM4E (0.37) | CYP3A4CYP2A6PDK2CA12CA1 | |
| SCHEMBL8556692 | 0.71 | KDM4E (0.36) | CYP3A4CYP2A6PDK2CA12CA1 | |
| SCHEMBL8557800 | 0.71 | KDM4E (0.35) | CYP3A4CYP2A6PDK2CA12CA1 | |
| SCHEMBL8557831 | 0.70 | ALDH1A1 (0.36) | CYP3A4CYP2A6PDK2CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0653426-B1 | Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same | KOWA CO (JP) | 1998-07-22 | — | — | EP | disclosed |
| US-5510366-A | INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS | KOWA CO., LTD. (JP) | 1996-04-23 | — | — | US | disclosed |
| EP-0653426-A1 | Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same | KOWA COMPANY, LTD. (JP) | 1995-05-17 | — | — | EP | disclosed |