Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18924426 | 0.85 | L3MBTL1 (0.59) | MAPK14HPGDTSHRNPC1RAB9A | |
| SCHEMBL18924337 | 0.83 | MAPK14 (0.55) | MAPK14HPGDNPC1RAB9APOLB | |
| SCHEMBL18924525 | 0.82 | KCNH2 (0.57) | MAPK14HPGDTSHRNPC1RAB9A | |
| SCHEMBL22259607 | 0.81 | ERN1 (0.57) | HPGDALDH1A1SMN1; SMN2ERN1PDK2 | |
| SCHEMBL19391338 | 0.79 | FASN (0.64) | MAPK14HPGDNPC1RAB9APOLB | |
| SCHEMBL16322751 | 0.79 | FASN (0.73) | — | |
| SCHEMBL16365811 | 0.79 | FASN (0.73) | — | |
| SCHEMBL18924386 | 0.78 | MAPK14 (0.51) | MAPK14HPGDNPC1RAB9APOLB | |
| SCHEMBL18924450 | 0.78 | MAPK14 (0.58) | MAPK14NPC1RAB9APOLBALDH1A1 | |
| SCHEMBL18924383 | 0.78 | ALDH1A1 (0.53) | MAPK14HPGDTSHRNPC1RAB9A |
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 |