Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.51 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.42 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.42 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8040675 | 0.82 | PYCR1 (0.43) | TSHRALDH1A1RIPK1CNR2CYP2C19 | |
| SCHEMBL9320590 | 0.81 | RIPK1 (0.49) | TSHRALDH1A1RIPK1AOC3CNR2 | |
| SCHEMBL13286037 | 0.81 | RIPK1 (0.49) | TSHRALDH1A1RIPK1AOC3CNR2 | |
| SCHEMBL1640061 | 0.80 | TSHR (0.58) | TSHRALDH1A1RIPK1AOC3CA12 | |
| SCHEMBL9303864 | 0.79 | TSHR (0.47) | TSHRALDH1A1RIPK1AOC3CA12 | |
| SCHEMBL9303465 | 0.79 | TSHR (0.47) | TSHRALDH1A1RIPK1AOC3CA12 | |
| SCHEMBL19465823 | 0.77 | ALOX5 (0.37) | TSHRADRA2BADRA2CSLC6A2HTR2A | |
| Hydrochloric Acid SCHEMBL9303560 | 0.77 | ALDH1A1 (0.45) | TSHRALDH1A1RIPK1AOC3CA12 | |
| SCHEMBL18098741 | 0.77 | RIPK1 (0.50) | TSHRALDH1A1RIPK1CA12CA9 | |
| SCHEMBL11249019 | 0.77 | TSHR (0.54) | TSHRALDH1A1RIPK1AOC3CA12 |
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-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |