Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.43 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.43 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.42 |
| ▸ | ITGAV | P06756 | 8/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.37 |
| ▸ | TUBB | P07437 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7540165 | 0.80 | ITGB3 (0.44) | ITGB3ITGAVITGA2BCHRM2SLC6A4 | |
| SCHEMBL7539260 | 0.79 | ITGB1 (0.45) | BCHEITGB3ITGAVITGA2BITGB1 | |
| SCHEMBL6495002 | 0.78 | ITGB3 (0.41) | BCHETRPC3TRPC4TRPC5ITGB3 | |
| SCHEMBL7163734 | 0.71 | ITGB3 (0.43) | ITGB3ITGAVITGA2BNPC1ALDH1A1 | |
| SCHEMBL7370460 | 0.71 | ITGB3 (0.43) | ITGB3ITGAVITGA2BNPC1ALDH1A1 | |
| SCHEMBL6032775 | 0.69 | ITGB3 (0.64) | ITGB3ITGAVITGA2BCHRM2SLC6A4 | |
| SCHEMBL6505393 | 0.68 | ITGB3 (0.42) | BCHETRPC3TRPC4TRPC5ITGB3 | |
| SCHEMBL6504314 | 0.68 | ITGB3 (0.44) | BCHETRPC3TRPC4TRPC5ITGB3 | |
| SCHEMBL7329079 | 0.66 | DAGLA (0.44) | ITGB3ITGAVITGA2BCHRM2SLC6A4 | |
| SCHEMBL6503005 | 0.66 | ITGB3 (0.51) | ITGB3ITGAVITGA2BITGB1ITGA5 |
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-1208088-A2 | FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001010841-A2 | FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-02-15 | — | — | WO | disclosed |