Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19158866 | 0.89 | HTT (0.67) | NPC1RAB9AEPHX2CYP3A4CYP1A2 | |
| SCHEMBL4559342 | 0.79 | RAB9A (0.91) | NPC1RAB9AHTTL3MBTL1TP53 | |
| SCHEMBL19158944 | 0.78 | KMT2A (0.60) | NPC1RAB9AEPHX2CYP3A4CYP1A2 | |
| SCHEMBL19159617 | 0.78 | HSD17B10 (0.69) | CYP3A4CYP1A2CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL14934501 | 0.75 | EPHX2 (1.00) | EPHX2CYP3A4CYP1A2USP2CYP2C19 | |
| SCHEMBL14934360 | 0.72 | EPHX2 (0.67) | EPHX2CYP3A4CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL26165514 | 0.71 | NPC1 (0.62) | NPC1RAB9AHTTL3MBTL1TP53 | |
| SCHEMBL1575749 | 0.71 | NPC1 (0.70) | NPC1RAB9ACYP3A4HTTL3MBTL1 | |
| SCHEMBL2097729 | 0.71 | RAB9A (0.74) | NPC1RAB9AHTTL3MBTL1TP53 | |
| SCHEMBL14934398 | 0.70 | EPHX2 (0.79) | EPHX2CYP3A4CYP1A2CYP2C9ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3196199-A2 | SUBSTITUTED N-(PYRROLIDINE-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE AS JANUS KINASE INHIBITOR | Yang Ji Chemical Co., Ltd. (KR) | 2017-07-26 | — | — | EP | disclosed |