Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5254081 | 0.80 | TSHR (0.57) | ALDH1A1CYP3A4TSHRHPRT1TDP1 | |
| SCHEMBL5690907 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL5690911 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL5691918 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL265334 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL5691915 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL3255966 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6263860 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL5752626 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2RXRA | |
| SCHEMBL7459660 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19CYP1A2 |
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-1180765-B1 | Optical recording medium and porphycene compound | MITSUI CHEMICALS INC (JP) | 2005-04-06 | — | — | EP | disclosed |
| EP-1180765-A1 | Optical recording medium and porphycene compound | Mitsui Chemicals, Inc. (JP) | 2002-02-20 | — | — | EP | disclosed |
| CN-1133838-A | Improved process for alkylation with triazoles | ROHM & HAAS (US) | 1996-10-23 | — | — | CN | disclosed |