Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.83 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.48 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.48 |
| ▸ | PRKX | P51817 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | PRKG1 | Q13976 | 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 | |
|---|---|---|---|---|
| SCHEMBL7905499 | 0.86 | MAPK1 (0.79) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL27874048 | 0.86 | MAPK1 (0.79) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL7906502 | 0.86 | MAPK1 (0.79) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL10558069 | 0.83 | MAPK1 (0.75) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL17037426 | 0.83 | CYP3A4 (0.75) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL8240306 | 0.83 | NPC1 (0.67) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL12421168 | 0.82 | MAPK1 (0.65) | CYP3A4MAPK1ALDH1A1ROCK2RPS6KA5 | |
| SCHEMBL13502639 | 0.82 | CYP3A4 (0.64) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL21112115 | 0.81 | CYP3A4 (0.56) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL28167944 | 0.80 | MME (0.70) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |