Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.73 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.73 |
| ▸ | GAA | P10253 | 4/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.73 |
| ▸ | HPGD | P15428 | 3/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.73 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | TP53 | P04637 | 2/20 | 0.73 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL10721631 | 0.93 | TSHR (0.67) | TSHRNPSR1CYP2C9KDM4EGAA | |
| SCHEMBL4881545 | 0.91 | LMNA (0.61) | TSHRNPSR1CYP2C9KDM4EGAA | |
| SCHEMBL10109068 | 0.88 | CYP2C9 (0.70) | TSHRNPSR1CYP2C9KDM4EGAA | |
| SCHEMBL8438483 | 0.88 | TSHR (0.60) | TSHRNPSR1CYP2C9KDM4EGAA | |
| (S)-Felodipine SCHEMBL29908048 | 0.84 | CYP2C9 (1.00) | TSHRNPSR1CYP2C9KDM4EGAA | |
| (R)-Felodipine SCHEMBL29617765 | 0.84 | CYP2C9 (1.00) | TSHRNPSR1CYP2C9KDM4EGAA | |
| Felodipine SCHEMBL13460298 | 0.84 | CYP2C9 (1.00) | TSHRNPSR1CYP2C9KDM4EGAA | |
| (S)-Felodipine SCHEMBL26399 | 0.84 | CYP2C9 (1.00) | TSHRNPSR1CYP2C9KDM4EGAA | |
| Felodipine SCHEMBL920025 | 0.84 | CYP2C9 (1.00) | TSHRNPSR1CYP2C9KDM4EGAA | |
| (R)-Felodipine SCHEMBL54486 | 0.84 | CYP2C9 (1.00) | TSHRNPSR1CYP2C9KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012123966-A1 | PROCESS FOR THE PREPARATION OF 4 -SUBSTITUTED -1, 4-DIHYDROPYRIDINES | ARCH PHARMALABS LIMITED (IN) | 2012-09-20 | — | — | WO | disclosed |
| WO-2008097546-A2 | COMPOUNDS THAT INHIBIT CHOLINESTERASE | COLUCID PHARMACEUTICALS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |