Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 16/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5476 | 0.95 | — | — | |
| SCHEMBL29412844 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL17823738 | 0.93 | CYP1A2 (0.37) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL30092016 | 0.93 | CYP1A2 (0.37) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL30092217 | 0.93 | CYP1A2 (0.37) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| Ammonia Solution, Strong SCHEMBL1763626 | 0.93 | CYP1A2 (0.33) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL3492287 | 0.93 | CYP1A2 (0.37) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL13527768 | 0.80 | LOXL2 (0.32) | — | |
| SCHEMBL2339199 | 0.77 | HRH1 (0.42) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL20204090 | 0.74 | HRH1 (0.36) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 |
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-1981854-B1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-06-01 | — | — | EP | claimed |