Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7930638 | 0.89 | CYP1A2 (0.57) | MCHR1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL7929775 | 0.81 | ALDH1A1 (0.52) | CYP2A6CYP1A2CYP2C19KMT2AMEN1 | |
| 1,2-Dipropoxybenzene SCHEMBL29428926 | 0.80 | CYP1A2 (0.56) | CYP2A6MCHR1CYP1A2CYP2C9CYP2C19 | |
| 1,2-Dipropoxybenzene SCHEMBL578657 | 0.80 | CYP1A2 (0.56) | CYP2A6MCHR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL843970 | 0.80 | L3MBTL1 (0.50) | CYP2A6MCHR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2043221 | 0.79 | CHRM2 (0.49) | CYP2A6MCHR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8863052 | 0.79 | CYP2A6 (0.56) | CYP2A6MCHR1KMT2AMEN1CNR1 | |
| SCHEMBL7928280 | 0.79 | MCHR1 (0.58) | CYP2A6MCHR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11333941 | 0.79 | MAPT (0.52) | CYP2A6MCHR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30503979 | 0.79 | CYP2A6 (0.56) | CYP2A6MCHR1KMT2AMEN1CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |