Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.42 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.42 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL967209 | 0.96 | TSHR (0.56) | TSHRALDH1A1AOC3CYP2C19NPC1 | |
| SCHEMBL10941657 | 0.79 | LMNA (0.54) | TSHRALDH1A1CYP2C19NPC1RAB9A | |
| SCHEMBL27329687 | 0.79 | ALDH1A1 (0.52) | TSHRALDH1A1AOC3CYP2C19NPC1 | |
| SCHEMBL4528866 | 0.76 | TSHR (0.58) | TSHRALDH1A1AOC3CYP2C19NPC1 | |
| SCHEMBL24723657 | 0.75 | MTOR (0.44) | ALDH1A1MAOAMAOBCA12CA9 | |
| SCHEMBL5534484 | 0.75 | ALDH1A1 (0.50) | TSHRALDH1A1AOC3NPC1RAB9A | |
| SCHEMBL5537402 | 0.75 | PYCR1 (0.47) | ALDH1A1AOC3LMNAPYCR1KMT2A | |
| SCHEMBL5513954 | 0.75 | MMP13 (0.39) | TSHRALDH1A1CYP2C19USP2CYP3A4 | |
| SCHEMBL3247642 | 0.75 | TSHR (0.52) | TSHRALDH1A1AOC3CYP2C19NPC1 | |
| SCHEMBL5548152 | 0.75 | PYCR1 (0.52) | TSHRALDH1A1LMNAMAOBPYCR1 |
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 |