Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11619456 | 0.87 | ESR1 (0.42) | ESR1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL6693771 | 0.83 | CYP1A2 (0.48) | ESR1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL15604416 | 0.81 | ESR1 (0.57) | ESR1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL10627654 | 0.80 | CYP2D6 (0.41) | ESR1CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL7223016 | 0.79 | CYP2C9 (0.50) | ESR1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL23408935 | 0.79 | ALDH1A1 (0.40) | ESR1CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL7871930 | 0.79 | NPC1 (0.61) | NPC1RAB9AMAPTPOLBHTT | |
| SCHEMBL5524582 | 0.78 | HDAC1 (0.55) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL3878977 | 0.78 | CA1 (0.54) | CYP2C19NPC1RAB9AMAPTPOLB | |
| SCHEMBL2353155 | 0.78 | MAPT (0.56) | ESR1CYP1A2CYP2C9CYP2C19NPC1 |
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-8410155-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-02 | — | — | US | disclosed |