Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3338644 | 0.69 | — | — | |
| SCHEMBL9731474 | 0.67 | NPC1 (0.50) | NPC1RAB9AMAOAMAOBCYP1A2 | |
| SCHEMBL9731472 | 0.67 | NPC1 (0.50) | NPC1RAB9AMAOAMAOBCYP1A2 | |
| SCHEMBL18599795 | 0.67 | NPC1 (0.55) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23517863 | 0.66 | NPC1 (0.44) | NPC1RAB9AMAOAMAOBCYP1A2 | |
| SCHEMBL22572733 | 0.65 | MAOA (0.49) | NPC1RAB9AMAOAMAOBCYP1A2 | |
| SCHEMBL13656482 | 0.65 | CES2 (0.56) | NPC1RAB9AMAOAMAOBCYP1A2 | |
| SCHEMBL565974 | 0.65 | CES2 (0.64) | NPC1RAB9AMAOAMAOBCES2 | |
| SCHEMBL5056758 | 0.65 | RAB9A (0.62) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL723439 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2903079-A1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION MADE BY DISSOLVING METAL COMPLEX DYE | Fujifilm Corporation (JP) | 2015-08-05 | — | — | EP | disclosed |