Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8802087 | 0.87 | NAPRT (0.46) | ALDH1A1ALOX15CDK5CDK5R1MAPT | |
| SCHEMBL7553486 | 0.87 | ALDH1A1 (0.37) | ALDH1A1ALOX15CDK5CDK5R1MAPT | |
| SCHEMBL8800986 | 0.84 | RECQL (0.48) | ALDH1A1CES2CES1NAPRTCDK2 | |
| SCHEMBL8799820 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPTNAPRTL3MBTL1KDM4E | |
| SCHEMBL7548471 | 0.83 | MAPK13 (0.41) | ALDH1A1NAPRTCDK2CTNNB1WNT3A | |
| SCHEMBL8610774 | 0.82 | CNR2 (0.49) | NAPRTCDK2CTNNB1WNT3AHTT | |
| SCHEMBL8805528 | 0.82 | MAPK14 (0.40) | CDK5MAPTCDK2GSK3BL3MBTL1 | |
| SCHEMBL7543771 | 0.81 | BCAT2 (0.44) | ALDH1A1NAPRTHTTPRKCISMN1; SMN2 | |
| SCHEMBL8798631 | 0.80 | RORB (0.47) | ALOX15CDK5CDK5R1CDK2SMN1; SMN2 | |
| SCHEMBL8799888 | 0.79 | CDK2 (0.43) | CDK2HTT |
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 |