Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | OXTR | P30559 | 1/20 | 0.44 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924561 | 0.85 | MCHR1 (0.64) | MAPK14S1PR1POLBNPC1RAB9A | |
| SCHEMBL20460529 | 0.83 | POLB (0.60) | MAPK14S1PR1POLBNPC1RAB9A | |
| SCHEMBL8130980 | 0.81 | POLB (0.62) | MAPK14S1PR1POLBNPC1RAB9A | |
| SCHEMBL18924450 | 0.79 | MAPK14 (0.58) | MAPK14POLBNPC1RAB9AMCHR1 | |
| SCHEMBL18924455 | 0.78 | MAPK14 (0.43) | MAPK14S1PR1POLBNPC1RAB9A | |
| SCHEMBL16323612 | 0.78 | FASN (0.66) | — | |
| SCHEMBL9001766 | 0.78 | ALDH1A1 (0.66) | POLBNPC1RAB9ACNR2ALDH1A1 | |
| SCHEMBL18924462 | 0.77 | CNR2 (0.44) | MAPK14POLBNPC1RAB9AMCHR1 | |
| SCHEMBL16907559 | 0.76 | PDK2 (0.58) | S1PR1POLBNPC1RAB9ACNR2 | |
| SCHEMBL18924337 | 0.76 | MAPK14 (0.55) | MAPK14S1PR1POLBNPC1RAB9A |
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-3010916-B1 | 1,3-DIAMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |