Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29120487 | 0.90 | ALDH1A1 (0.59) | TRPV1CYP2C9POLBALDH1A1MAPT | |
| SCHEMBL30674772 | 0.90 | ALDH1A1 (0.59) | TRPV1CYP2C9POLBALDH1A1MAPT | |
| SCHEMBL8192361 | 0.80 | TSHR (0.51) | TRPV1MAPTBRD4CREBBPTHRB | |
| SCHEMBL2547584 | 0.79 | SMYD3 (0.53) | KIF11GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL4578101 | 0.78 | TRPV1 (0.56) | TRPV1CYP3A4CYP19A1CYP2C9KIF11 | |
| SCHEMBL12207050 | 0.78 | BRD4 (0.47) | TRPV1ALDH1A1BRD4CREBBPKMT2A | |
| SCHEMBL25166094 | 0.77 | BRD4 (0.41) | TRPV1POLBALDH1A1MAPTBRD4 | |
| SCHEMBL31107949 | 0.77 | BRD4 (0.41) | TRPV1POLBALDH1A1MAPTBRD4 | |
| SCHEMBL4579193 | 0.76 | GRIN2D (0.55) | TRPV1CYP3A4CYP19A1CYP2C9KIF11 | |
| SCHEMBL25166071 | 0.76 | BRD4 (0.40) | TRPV1POLBALDH1A1MAPTBRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5610158-A | ANXIOLYTIC AGENTS, SEDATIVES | THE UPJOHN COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0625982-A1 | 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993016082-A1 | 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS | THE UPJOHN COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |