Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | INMT | O95050 | 3/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1308184 | 1.00 | ITGB3 (0.36) | ITGB3ITGB1ITGAVITGA4TSHR | |
| SCHEMBL12629591 | 1.00 | ITGB3 (0.36) | ITGB3ITGB1ITGAVITGA4TSHR | |
| SCHEMBL30601862 | 1.00 | ITGB3 (0.36) | ITGB3ITGB1ITGAVITGA4TSHR | |
| SCHEMBL1773442 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7981555 | 0.94 | ITGB3 (0.36) | ITGB3ITGB1ITGAVITGA4TSHR | |
| SCHEMBL620598 | 0.92 | — | — | |
| SCHEMBL12983433 | 0.85 | ITGB3 (0.40) | ITGB3ITGB1ITGAVITGA4TSHR | |
| SCHEMBL10436375 | 0.82 | CYP1A2 (0.44) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11392672 | 0.79 | POLB (0.31) | — | |
| SCHEMBL19155926 | 0.77 | ITGB3 (0.33) | ITGB3ITGB1ITGAVITGA4TSHR |
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-2758394-B1 | HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS | SUVEN LIFE SCIENCES LTD (IN) | 2015-02-18 | — | — | EP | disclosed |