Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | SCN1A | P35498 | 2/20 | 0.72 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.72 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | HTR7 | P34969 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29141930 | 0.98 | CYP3A4 (0.74) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL3698543 | 0.95 | CYP3A4 (0.69) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL3680789 | 0.89 | CYP3A4 (0.64) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| Bromide SCHEMBL28238291 | 0.86 | CYP3A4 (0.61) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL23072066 | 0.85 | CYP3A4 (0.68) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL8024067 | 0.85 | CYP3A4 (0.97) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL29941333 | 0.84 | SCN1A (0.56) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL28062482 | 0.84 | CYP3A4 (0.62) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL30306219 | 0.84 | CYP3A4 (1.00) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL6753337 | 0.84 | CYP3A4 (1.00) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101151249-B | Cyclopentapyridine and tetrahydroquinoline derivatives | PFIZER PRODUCTS INC. (US) | 2011-04-06 | — | — | CN | disclosed |
| CN-101151249-A | Cyclopentapyridine and tetrahydroquinoline derivatives | PFIZER (US) | 2008-03-26 | — | — | CN | disclosed |
| CN-1745074-A | 5-HT receptor ligands and uses thereof | PFIZER PROD INC (US) | 2006-03-08 | — | — | CN | disclosed |
| CN-1212315-C | Coffee acyl naphthalene sulfonamides compound and method for preparing the same and anti HIV conformity enzyme action | UNIV SHANDONG (CN) | 2005-07-27 | — | — | CN | disclosed |
| CN-1212315-C | Coffee acyl naphthalene sulfonamides compound and method for preparing the same and anti HIV conformity enzyme action | UNIV SHANDONG (CN) | 2005-07-27 | — | — | CN | disclosed |
| CN-1630645-A | 5-HT receptor ligands and uses thereof | PFIZER (US) | 2005-06-22 | — | — | CN | disclosed |
| CN-1482116-A | Coffee acyl naphthalene sulfonamides compound and method for preparing the same and anti HIV conformity enzyme action | 山东大学 | 2004-03-17 | — | — | CN | disclosed |