Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10875349 | 0.77 | CYP3A4 (0.41) | CYP3A4MAPK1CYP2A6CES1AHR | |
| SCHEMBL38745 | 0.75 | CYP3A4 (0.46) | CYP3A4MAPK1CYP2A6CES1AHR | |
| SCHEMBL1961206 | 0.72 | CYP3A4 (0.38) | CYP3A4MAPK1CYP2A6AHR | |
| SCHEMBL31559780 | 0.68 | CYP3A4 (0.35) | CYP3A4MAPK1CYP2A6AHR | |
| SCHEMBL237637 | 0.68 | CYP3A4 (0.35) | CYP3A4MAPK1CYP2A6CES1AHR | |
| SCHEMBL19830027 | 0.68 | CYP3A4 (0.36) | CYP3A4MAPK1CYP2A6CES1AHR | |
| SCHEMBL11595170 | 0.68 | CYP3A4 (0.59) | CYP3A4MAPK1 | |
| SCHEMBL29127280 | 0.68 | CYP3A4 (0.35) | CYP3A4MAPK1CYP2A6AHR | |
| SCHEMBL21527928 | 0.68 | CYP3A4 (0.35) | CYP3A4MAPK1CYP2A6CES1AHR | |
| SCHEMBL10990892 | 0.68 | TSHR (0.39) | CYP3A4MAPK1AHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0617073-B1 | Poly(silyleneethynylene phenyleneethynylenes), method for preparing same and hardened product thereof | MITSUI CHEMICALS INC (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5420238-A | Heat resistant | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0617073-A2 | Poly(silyleneethynylene phenyleneethynylenes), method for preparing same and hardened product thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-09-28 | — | — | EP | disclosed |