Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 6/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 6/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8813141 | 0.89 | NAPRT (0.44) | NAPRTCYP3A4CYP2C9KMT2AKDM5A | |
| SCHEMBL7548471 | 0.87 | MAPK13 (0.41) | NAPRTALDH1A1MAPK13MAPK12MAPK11 | |
| SCHEMBL8798744 | 0.87 | NAPRT (0.44) | NAPRTCYP3A4CYP2C9KMT2AKDM5A | |
| SCHEMBL7547531 | 0.86 | NAPRT (0.44) | NAPRTCYP3A4CYP2C9KMT2AKDM5A | |
| SCHEMBL7548361 | 0.84 | NAPRT (0.53) | NAPRTCYP3A4CYP2C9KMT2AALDH1A1 | |
| SCHEMBL8802087 | 0.82 | NAPRT (0.46) | NAPRTKMT2AALDH1A1PRKCICTNNB1 | |
| SCHEMBL7548594 | 0.82 | RECQL (0.48) | NAPRTKMT2AALDH1A1MAPK13MAPK12 | |
| SCHEMBL7545186 | 0.82 | CDK5 (0.46) | NAPRTKMT2AMAPK13MAPK12MAPK11 | |
| SCHEMBL7548771 | 0.81 | BCAT2 (0.46) | NAPRTKMT2AKDM4CALDH1A1MAPK13 | |
| SCHEMBL7554905 | 0.81 | L3MBTL1 (0.41) | NAPRTCYP2C9KDM4CKDM5BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997049708-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1998-05-22 | — | — | WO | disclosed |
| EP-0811008-A1 | BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1997-12-10 | — | — | EP | disclosed |