Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.43 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.43 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.43 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14991977 | 0.90 | CNR2 (0.47) | TRPV1PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL184041 | 0.89 | TRPV1 (0.59) | TRPV1PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL1094537 | 0.81 | CNR1 (0.57) | PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2 | |
| SCHEMBL19643323 | 0.81 | IDO1 (0.44) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL20894801 | 0.79 | NPC1 (0.44) | ALDH1A1POLBSMN1; SMN2MAPT | |
| SCHEMBL4179064 | 0.79 | HPGD (0.57) | PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1 | |
| SCHEMBL6379101 | 0.79 | ALDH1A1 (0.61) | TRPV1PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL10593239 | 0.78 | MAPT (0.64) | TRPV1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL17823112 | 0.76 | MTNR1A (0.43) | — | |
| SCHEMBL12319290 | 0.76 | CNR1 (0.45) | TRPV1ALDH1A1POLBSMN1; SMN2 |
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-1617807-A4 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO MCNEIL PHARM INC (US) | 2007-02-21 | — | — | EP | disclosed |
| EP-1617807-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | Ortho-McNeil Pharmaceuticals, Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096134-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2004-11-11 | — | — | WO | disclosed |