Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIFC1 | Q9BW19 | 3/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 8/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3995086 | 1.00 | KIFC1 (0.47) | KIFC1ITGB1ITGA4PDK1PDK2 | |
| SCHEMBL5926900 | 0.93 | ITGB1 (0.47) | ITGB1ITGA4ERAP1ITGB7ITGB2 | |
| SCHEMBL6101133 | 0.92 | ITGB1 (0.44) | ITGB1ITGA4PDK1PDK2PDK3 | |
| SCHEMBL3994869 | 0.91 | CDK2 (0.45) | KIFC1MCL1CDK2PSMB5 | |
| SCHEMBL3992036 | 0.91 | ITGB1 (0.45) | KIFC1ITGB1ITGA4PDK1PDK2 | |
| SCHEMBL8339646 | 0.89 | ITGB1 (0.44) | ITGB1ITGA4PDK1PDK2PDK3 | |
| SCHEMBL3978072 | 0.88 | GPR34 (0.45) | ITGB1ITGA4ERAP1ITGB7ITGB2 | |
| SCHEMBL5926694 | 0.86 | ITGB1 (0.47) | ITGB1ITGA4ITGB7ITGB2ICAM1 | |
| SCHEMBL5926907 | 0.86 | ITGB1 (0.45) | ITGB1ITGA4ERAP1ITGB7ITGB2 | |
| SCHEMBL5926313 | 0.84 | ITGB1 (0.42) | ITGB1ITGA4ERAP1ITGB7ITGB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544699-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2009-06-09 | — | — | US | disclosed |
| US-7544699-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2009-06-09 | — | — | US | disclosed |
| WO-2005014533-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | disclosed |