Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28384503 | 0.99 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL20739720 | 0.93 | ENPP2 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL2727354 | 0.93 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL16678836 | 0.92 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL30741614 | 0.89 | ENPP2 (0.49) | CYP2C19HSD17B10NAMPTENPP2ATXN2 | |
| SCHEMBL23970612 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL15268978 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL13805600 | 0.85 | MEN1 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL14249585 | 0.85 | ENPP2 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL14249583 | 0.84 | ENPP2 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014160592-A2 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | WO | disclosed |