Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.32 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8542604 | 0.85 | PRSS1 (0.42) | RARBRARACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8545577 | 0.81 | RARB (0.41) | RARBRARAHDAC1HDAC2NPSR1 | |
| SCHEMBL7558866 | 0.80 | RARB (0.43) | RARBRARACYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8542044 | 0.80 | RARB (0.46) | RARBRARACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8541991 | 0.78 | RARB (0.39) | RARBRARATSHRHDAC1HDAC2 | |
| SCHEMBL8540087 | 0.77 | RARB (0.42) | RARBRARAHDAC1HDAC2NPSR1 | |
| SCHEMBL9128330 | 0.76 | CYP2D6 (0.38) | RARBRARACYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9128322 | 0.76 | CYP2D6 (0.38) | RARBRARACYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7561627 | 0.76 | LTA4H (0.45) | RARBRARACYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9119436 | 0.75 | PRSS1 (0.42) | RARBRARACYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0736078-B1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 1998-06-24 | — | — | EP | disclosed |
| US-5474705-A | Electrooptical displays | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-12-12 | — | — | US | disclosed |