Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL14375252 | 0.83 | ACHE (0.55) | FAAHMCHR1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL15084309 | 0.82 | HRH3 (0.48) | FAAHMCHR1ALDH1A1TSHRCYP3A4 | |
| SCHEMBL7963222 | 0.80 | MEN1 (0.46) | FAAHALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL15081965 | 0.79 | OPRM1 (0.53) | FAAHMCHR1OPRM1OPRD1OPRK1 | |
| SCHEMBL6610778 | 0.78 | BRPF1 (0.49) | FAAHMCHR1ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL807390 | 0.78 | FAAH (0.44) | FAAHMCHR1OPRM1OPRD1OPRK1 | |
| SCHEMBL15084329 | 0.77 | FAAH (0.51) | FAAHMCHR1KDM1AHCRTR1HCRTR2 | |
| SCHEMBL4818709 | 0.76 | KDM4E (0.58) | ALDH1A1TSHRKDM4E | |
| SCHEMBL5428259 | 0.76 | MCHR1 (0.48) | FAAHMCHR1HCRTR1HCRTR2 | |
| SCHEMBL3593743 | 0.74 | FAAH (1.00) | FAAHKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3536319-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-09-11 | — | — | EP | disclosed |
| EP-2615916-B1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-01-04 | — | — | EP | disclosed |
| WO-2012058127-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |