Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL5602281 | 0.84 | TDP1 (0.33) | ALDH1A1 | |
| SCHEMBL5602840 | 0.71 | NPC1 (0.34) | ALDH1A1 | |
| SCHEMBL5604293 | 0.67 | TSHR (0.30) | — | |
| Biphenyl SCHEMBL27383049 | 0.61 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2A6 | |
| Biphenyl SCHEMBL27907683 | 0.61 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP2A6 | |
| Biphenyl SCHEMBL27842187 | 0.61 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP2A6 | |
| Biphenyl SCHEMBL27966871 | 0.61 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP2A6 | |
| Biphenyl SCHEMBL8993020 | 0.61 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP2A6 | |
| Biphenyl SCHEMBL51203 | 0.61 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP2A6 | |
| Biphenyl SCHEMBL9243537 | 0.58 | ALDH1A1 (0.82) | ALDH1A1CYP1A2CYP2A6 |
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-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |