Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.53 |
| ▸ | TSHR | P16473 | 13/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.53 |
| ▸ | LMNA | P02545 | 7/20 | 0.53 |
| ▸ | USP2 | O75604 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.53 |
| ▸ | APLNR | P35414 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17441855 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL2720254 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL15884679 | 0.77 | APLNR (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL20238802 | 0.76 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL558073 | 0.76 | FGFR3 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL558386 | 0.76 | PDGFRB (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL558361 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL558094 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL20092723 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL16368537 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR |
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-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |
| EP-2944637-A1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM Corporation (JP) | 2015-11-18 | — | — | EP | disclosed |
| CN-104903320-A | Nitrogen-containing heterocylic compound or salt thereof | FUJIFILM CORP | 2015-09-09 | — | — | CN | disclosed |