Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.45 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | YAP1 | P46937 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10311741 | 0.84 | CYP3A4 (0.49) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL19706485 | 0.84 | CYP3A4 (0.49) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL12069874 | 0.84 | CYP3A4 (0.49) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL6392481 | 0.84 | PARP1 (0.49) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL10311686 | 0.83 | ALDH1A1 (0.51) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL1197052 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL19699507 | 0.83 | ALDH1A1 (0.51) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL19699482 | 0.83 | ALDH1A1 (0.51) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 | |
| SCHEMBL27959751 | 0.82 | S1PR2 (0.46) | CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL23894842 | 0.80 | CYP2C19 (0.46) | CYP1A2CYP3A4ADORA2AADORA2BADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5096978-A | Butadiene polymers having improved scorch delay and fast cure rates; tires; treads | MONSANTO COMPANY (US) | 1992-03-17 | — | — | US | claimed |
| US-5096978-A | Butadiene polymers having improved scorch delay and fast cure rates; tires; treads | MONSANTO COMPANY (US) | 1992-03-17 | — | — | US | disclosed |
| EP-0364428-A1 | Vulcanizable synthetic rubber compositions cure-activated by substituted ureas | Monsanto Company (US) | 1990-04-18 | — | — | EP | disclosed |