Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4065633 | 0.83 | HCAR2 (0.62) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL8436927 | 0.82 | HCAR2 (0.67) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL11612827 | 0.82 | HCAR2 (0.67) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL9001891 | 0.81 | HCAR2 (0.61) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL6133091 | 0.81 | HCAR2 (0.61) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL337503 | 0.80 | HCAR2 (0.89) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL337504 | 0.80 | HCAR2 (0.89) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL9395526 | 0.80 | HCAR2 (0.69) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL357565 | 0.80 | HCAR2 (0.89) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL3094482 | 0.79 | HCAR2 (0.57) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0518484-A2 | 1,4-Benzodiazepines condesed with 5- and 6-membered heterocyclic rings to treat anxiety, pain, pupil constriction, withdrawal-syndrome or oncologic disorders | MERCK & CO. INC. (US) | 1992-12-16 | — | — | EP | disclosed |
| US-4847248-A | 1,4-Benzodiazepines with 5- and 6-membered heterocyclic rings and their use as cholecystokinins and gastrin antagonists | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0272865-A1 | 1,4-Benzodiazepines with 5-and 6-membered heterocyclic rings | MERCK & CO. INC. (US) | 1988-06-29 | — | — | EP | disclosed |
| US-4735941-A | 1,4-benzodiazepines with 5- and 6-membered heterocyclic rings, useful as gastrointestinal and CNS agents | MERCK & CO., INC. (US) | 1988-04-05 | — | — | US | disclosed |