Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 9/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19159617 | 0.84 | HSD17B10 (0.69) | CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL28137409 | 0.83 | KMT2A (0.55) | KMT2AEPHX2SMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL14934393 | 0.80 | CYP1A2 (0.58) | EPHX2SMN1; SMN2CYP3A4CYP1A2TSHR | |
| SCHEMBL3026246 | 0.80 | ALDH1A1 (0.66) | EPHX2CYP3A4CYP1A2CYP2C19NAMPT | |
| SCHEMBL14934533 | 0.79 | EPHX2 (0.60) | EPHX2CYP3A4CYP1A2TSHR | |
| SCHEMBL19159910 | 0.78 | NPC1 (0.63) | EPHX2SMN1; SMN2CYP3A4CYP1A2TSHR | |
| SCHEMBL4508859 | 0.77 | KMT2A (0.90) | KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL19158866 | 0.76 | HTT (0.67) | KMT2AEPHX2SMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL14934437 | 0.76 | EPHX2 (0.67) | EPHX2CYP3A4CYP1A2TSHRCYP2C19 | |
| SCHEMBL14934542 | 0.76 | EPHX2 (1.00) | EPHX2CYP3A4CYP1A2TSHRCYP2C19 |
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 |