Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13294664 | 0.87 | HCRTR1 (0.46) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL26985646 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL31506117 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL8363964 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL22578253 | 0.77 | NPC1 (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL28296096 | 0.77 | NPC1 (0.50) | CYP1A2CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL15483941 | 0.75 | KMT2A (0.50) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL29524578 | 0.75 | KMT2A (0.50) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL22578252 | 0.74 | NPC1 (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL28114442 | 0.74 | BACE1 (0.45) | CYP1A2CYP3A4CYP2D6ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104725397-A | Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | SERVIER LAB | 2015-06-24 | — | — | CN | disclosed |