Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.37 |
| ▸ | TACR1 | P25103 | 11/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6790363 | 0.91 | ROCK2 (0.42) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6795690 | 0.88 | ROCK2 (0.40) | ROCK2ROCK1TNIKTACR1GPBAR1 | |
| SCHEMBL6794050 | 0.87 | ROCK2 (0.44) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL7783684 | 0.86 | ROCK2 (0.41) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6794717 | 0.86 | ROCK2 (0.42) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6793859 | 0.86 | ROCK2 (0.43) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6795924 | 0.86 | ROCK2 (0.43) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6795052 | 0.85 | ROCK2 (0.42) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6794791 | 0.85 | ROCK2 (0.42) | ROCK2ROCK1TNIKTACR1ADRB2 | |
| SCHEMBL6795197 | 0.85 | ROCK2 (0.42) | ROCK2ROCK1TNIKTACR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6489315-B1 | NOVEL CYCLIC COMPOUNDS HAVING AN EXCELLENT TACHYKININ RECEPTOR ANTAGONISTIC EFFECT, AND A METHOD FOR PRODUCING THEM, FOR TREATING DISORDERS OF INCONTINENCE, ASTHMA, MIGRAINE, IRRITABLE BOWEL SYNDROME, PAIN, COUGH OR EMESIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-12-03 | — | — | US | disclosed |
| US-6147071-A | TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-11-14 | — | — | US | disclosed |