Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 5/20 | 0.34 |
| ▸ | CES1 | P23141 | 5/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL301087 | 0.97 | CYP3A4 (0.41) | CYP3A4TDP1TP53CES2CES1 | |
| Dimethylamine SCHEMBL10849585 | 0.91 | CYP3A4 (0.36) | CYP3A4TDP1TP53CES2CES1 | |
| SCHEMBL9403468 | 0.91 | CYP3A4 (0.36) | CYP3A4TDP1TP53CES2CES1 | |
| SCHEMBL11474282 | 0.89 | CES2 (0.37) | CYP3A4TDP1CES2CES1ESR1 | |
| SCHEMBL6682714 | 0.88 | CYP3A4 (0.38) | CYP3A4TDP1TP53CES2CES1 | |
| SCHEMBL24141093 | 0.87 | TAAR1 (0.33) | CYP3A4TDP1TP53CES2CES1 | |
| SCHEMBL14927229 | 0.87 | CYP3A4 (0.33) | CYP3A4TDP1TP53CES2CES1 | |
| SCHEMBL7788089 | 0.86 | TSHR (0.37) | CYP3A4TDP1TP53CES2CES1 | |
| SCHEMBL15658882 | 0.85 | CES2 (0.41) | TP53CES2CES1SMN1; SMN2 | |
| SCHEMBL15656315 | 0.84 | — | — |
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-7888415-B2 | Photoresists contain e.g. a,a-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-ethanol homo- or copolymers made using activator such as alcohol, a non-olefinic chain transfer agent, and nickel catalyst; controllably low molecular weight polymers with low optical density | PROMERUS LLC (US) | 2011-02-15 | — | — | US | disclosed |
| US-20100177488-A1 | Vinyl Addition Polycyclic Olefin Polymers Prepared With Non-Olefinic Chain Transfer Agents And Uses Thereof | PROMERUS LLC (US) | 2010-07-15 | — | — | US | disclosed |