Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | ADH5 | P11766 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14428964 | 0.81 | CYP3A4 (0.50) | CYP3A4CYP2E1CYP2A6ALDH1A1HCAR1 | |
| SCHEMBL28144636 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL6258693 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL12342913 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6ALDH1A1HCAR1 | |
| SCHEMBL15445107 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2E1CYP2A6ALDH1A1HCAR1 | |
| SCHEMBL29187775 | 0.75 | LMNA (0.45) | CYP3A4CYP2E1CYP2A6ALDH1A1HCAR1 | |
| SCHEMBL9405397 | 0.75 | NPC1 (0.49) | CYP3A4CYP2E1CYP2A6ALDH1A1HCAR1 | |
| SCHEMBL10904420 | 0.75 | GAA (0.47) | CYP3A4CYP2E1CYP2A6ALDH1A1HCAR1 | |
| SCHEMBL11407322 | 0.75 | PDE4A (0.37) | CYP3A4ALDH1A1HCAR1CYP1A2CYP2D6 | |
| SCHEMBL113850 | 0.74 | CYP3A4 (0.44) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394068-A1 | TDO2 INHIBITORS | Genentech, Inc. (US) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017107979-A1 | TDO2 INHIBITORS | GENENTECH, INC. (US) | 2017-06-29 | — | — | WO | disclosed |