Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.43 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8320882 | 0.84 | GAA (0.42) | ALDH1A1KDM4ETDP1L3MBTL1ERN1 | |
| SCHEMBL4585814 | 0.82 | NQO2 (0.65) | NQO2TSHRKDM4ETUBB1CA12 | |
| SCHEMBL4585826 | 0.82 | NQO2 (0.65) | NQO2TSHRKDM4ETUBB1CA12 | |
| SCHEMBL4585821 | 0.82 | NQO2 (0.65) | NQO2TSHRKDM4ETUBB1CA12 | |
| SCHEMBL14613395 | 0.80 | PDE4A (0.54) | NQO2ALDH1A1TSHRTUBB1AOX1 | |
| SCHEMBL3850273 | 0.80 | ERN1 (0.47) | ERN1 | |
| SCHEMBL3850277 | 0.80 | ERN1 (0.47) | ERN1 | |
| SCHEMBL29956605 | 0.78 | CA12 (0.67) | ALDH1A1TSHRKDM4ETDP1CA12 | |
| SCHEMBL1987664 | 0.78 | CA12 (0.67) | ALDH1A1TSHRKDM4ETDP1CA12 | |
| SCHEMBL8248745 | 0.78 | MAOB (0.71) | ALDH1A1TSHRKDM4ETDP1MAOB |
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-2004073638-A2 | METHOD OF LOWERING BODY TEMPERATURE WITH (S)-2,3-BENZODIAZEPINES | VELA PHARMACEUTICALS, INC. (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004050616-A2 | TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES | VELA PHARMACEUTICALS, INC. (US) | 2004-06-17 | — | — | WO | disclosed |