Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6989802 | 0.81 | AKR1C3 (0.44) | SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL6988715 | 0.80 | ALDH1A1 (0.45) | SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL4442208 | 0.72 | AKR1C3 (0.41) | NPC1SLC6A3SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL25404938 | 0.71 | NPC1 (0.40) | NPC1CYP3A4GAAALDH1A1 | |
| SCHEMBL27034063 | 0.71 | NPC1 (0.40) | NPC1CYP3A4GAAALDH1A1 | |
| SCHEMBL1010039 | 0.69 | HSP90AA1 (0.41) | NPC1GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL16323373 | 0.68 | HTT (0.45) | NPC1CYP2D6GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL26999474 | 0.67 | SLC6A4 (0.40) | NPC1SLC6A3SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL26999403 | 0.67 | SLC6A4 (0.42) | SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL12497515 | 0.66 | SLC6A2 (0.45) | SLC6A3SLC6A2SLC6A4AKR1C3AKR1C2 |
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-1347967-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002051838-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-07-04 | — | — | WO | disclosed |