Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL7195057 | 0.84 | — | — | |
| SCHEMBL3952742 | 0.66 | CYP1A2 (0.73) | CYP1A2AHRALOX5LMNACYP2A6 | |
| SCHEMBL11165087 | 0.66 | CYP1A2 (0.73) | CYP1A2AHRALOX5LMNACYP2A6 | |
| SCHEMBL28215 | 0.66 | CYP1A2 (0.73) | CYP1A2AHRALOX5LMNACYP2A6 | |
| SCHEMBL25437316 | 0.64 | CYP1A2 (0.69) | CYP1A2AHRALOX5LMNACYP2A6 | |
| Hydrogen Sulfide SCHEMBL10394839 | 0.64 | CYP1A2 (0.69) | CYP1A2AHRALOX5LMNACYP2A6 | |
| Ethyne SCHEMBL29216096 | 0.61 | CYP1A2 (0.65) | CYP1A2AHRALOX5LMNACYP2A6 | |
| SCHEMBL387589 | 0.60 | CYP1A2 (0.55) | CYP1A2AHRALOX5LMNACYP2A6 | |
| SCHEMBL3869855 | 0.60 | ALDH1A1 (0.55) | CYP1A2AHRALOX5LMNACYP2A6 | |
| SCHEMBL9160072 | 0.59 | AHR (0.68) | CYP1A2AHRALOX5LMNACYP2A6 |
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-6656867-B2 | Coordination catalyst | THE GOODYEAR TIRE & RUBBER COMPANY | 2003-12-02 | — | — | US | disclosed |
| US-20030119662-A1 | Transition metal catalysts for diene polymerizations | THE GOODYEAR TIRE & RUBBER COMPANY | 2003-06-26 | — | — | US | disclosed |
| US-6479601-B1 | Transition metal catalysts for diene polymerizations | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-11-12 | — | — | US | disclosed |