Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27532598 | 0.83 | MEN1 (0.59) | GAACYP1A2RAB9AALDH1A1CYP3A4 | |
| SCHEMBL8313664 | 0.83 | CYP1A2 (0.50) | GAACYP1A2RAB9AALDH1A1KDM4E | |
| SCHEMBL8313189 | 0.83 | TRPV1 (0.50) | GAACYP1A2RAB9AALDH1A1KDM4E | |
| SCHEMBL28007500 | 0.82 | RAB9A (0.70) | RAB9AALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL30786693 | 0.82 | CES2 (0.61) | ALDH1A1LMNANPSR1MAPTMEN1 | |
| SCHEMBL1994068 | 0.82 | CES2 (0.61) | ALDH1A1LMNANPSR1MAPTMEN1 | |
| SCHEMBL8315698 | 0.81 | RAB9A (0.53) | GAACYP1A2RAB9AALDH1A1KDM4E | |
| SCHEMBL8314651 | 0.81 | RAB9A (0.47) | GAACYP1A2RAB9AALDH1A1KDM4E | |
| SCHEMBL8816442 | 0.81 | RAB9A (0.62) | GAACYP1A2RAB9AALDH1A1KDM4E | |
| SCHEMBL8311983 | 0.80 | RAB9A (0.58) | GAACYP1A2RAB9AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |
| CN-1106812-A | Tricyclic diaza * vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1995-08-16 | — | — | CN | disclosed |