Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | HSD17B4 | P51659 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438441 | 0.83 | TRPV1 (0.43) | TRPV1KMT2AHTTMEN1ALDH1A1 | |
| SCHEMBL4433151 | 0.82 | HDAC3 (0.47) | TRPV1KMT2AACACBKCNH2 | |
| SCHEMBL4435291 | 0.81 | TRPV1 (0.45) | TRPV1KMT2AHTTMEN1ALDH1A1 | |
| SCHEMBL4438527 | 0.77 | CES2 (0.50) | KMT2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4431561 | 0.77 | AKR1C3 (0.48) | ALDH1A1CES2CES1 | |
| SCHEMBL4432335 | 0.77 | CES2 (0.41) | CES2CES1 | |
| SCHEMBL2304585 | 0.76 | ACP3 (0.56) | ALDH1A1CES2CES1 | |
| SCHEMBL4432365 | 0.74 | AKR1C3 (0.43) | ALDH1A1CES2CES1 | |
| SCHEMBL4435426 | 0.73 | CNR1 (0.40) | CES2CES1LMNA | |
| SCHEMBL4434628 | 0.73 | AKR1C3 (0.51) | KMT2AMEN1CYP1A2CYP2C19 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |