Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.75 |
| ▸ | CD44 | P16070 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | S100B | P04271 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| O-Tolylamine SCHEMBL3542029 | 0.90 | CYP3A4 (0.68) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL31145800 | 0.89 | — | — | |
| O-Tolylamine SCHEMBL29441724 | 0.89 | — | — | |
| O-Tolylamine SCHEMBL15789 | 0.89 | — | — | |
| O-Tolylamine SCHEMBL8469060 | 0.89 | CYP3A4 (0.94) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL9613766 | 0.89 | CYP3A4 (0.94) | CYP3A4TDP1CD44TSHRCASP1 | |
| Octane SCHEMBL28067829 | 0.88 | CYP3A4 (0.65) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL8972194 | 0.87 | CYP3A4 (0.71) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL11231934 | 0.86 | CYP3A4 (0.88) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL9498667 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009038031-A1 | BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-26 | — | — | WO | disclosed |