Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.66 |
| ▸ | NPC1 | O15118 | 4/20 | 0.66 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6991219 | 0.85 | HRH4 (0.47) | RAB9ANPC1HRH4CYP1A2CYP3A4 | |
| SCHEMBL6990088 | 0.84 | NPC1 (0.57) | RAB9ANPC1HDAC3HDAC4HDAC1 | |
| SCHEMBL6991981 | 0.84 | CNR2 (0.56) | RAB9ANPC1HRH4CYP1A2CYP3A4 | |
| SCHEMBL6654443 | 0.79 | HRH4 (0.48) | RAB9AHRH4CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12913502 | 0.78 | PRSS1 (0.64) | RAB9ANPC1HDAC2HDAC8HDAC6 | |
| SCHEMBL27441071 | 0.78 | PRSS1 (0.69) | RAB9ANPC1HRH4CYP1A2CYP3A4 | |
| SCHEMBL24526798 | 0.77 | ALDH1A1 (0.56) | HRH4CYP1A2CYP3A4CYP2C19PRSS1 | |
| SCHEMBL20201248 | 0.77 | NPC1 (0.72) | RAB9ANPC1KMT2AGAAALDH1A1 | |
| SCHEMBL13272883 | 0.77 | NPC1 (0.73) | RAB9ANPC1HDAC3HDAC4HDAC1 | |
| SCHEMBL6988747 | 0.76 | CNR2 (0.55) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0557526-B1 | PYRROLOAZEPINE COMPOUND | SUNTORY LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5399557-A | Cardiovascular disorders | SUNTORY LIMITED (JP) | 1995-03-21 | — | — | US | disclosed |
| EP-0557526-A1 | PYRROLOAZEPINE COMPOUND | SUNTORY LIMITED (JP) | 1993-09-01 | — | — | EP | disclosed |