Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tirofiban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 20/20 | 0.96 |
| ▸ | ITGA2B known ✓ | P08514 | 20/20 | 0.96 |
| ▸ | ITGAV | P06756 | 2/20 | 0.96 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.96 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.96 |
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 | |
|---|---|---|---|---|
| Tirofiban SCHEMBL41325 | 1.00 | ITGB3 (0.96) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL28858023 | 0.99 | ITGB3 (0.98) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL41327 | 0.99 | ITGB3 (0.98) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL155170 | 0.99 | ITGB3 (0.98) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL17721319 | 0.98 | ITGB3 (1.00) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL618214 | 0.98 | ITGB3 (1.00) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL3685 | 0.98 | ITGB3 (1.00) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL41326 | 0.97 | ITGB3 (0.95) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| Tirofiban SCHEMBL140366 | 0.96 | ITGB3 (0.96) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL13873863 | 0.89 | ITGB3 (0.83) | ITGB3ITGA2BITGAVCHRM2SLC6A4 |
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-5965581-A | COMPOSITION OF 2-S-(N-BUTYLSULFONYLAMINO)-3-(4-(4-(PIPERIDIN-4-YL)BUTYLOXY)PHENYL)PROPIONIC ACID, SODIUM CHLORIDE, SODIUM CITRATE DIHYDRATE, AND CITRIC ACID ANHYDROUS, OF SPECIFIC OSMOLALITY; PREVENTS THROMBOSIS | MERCK & CO., INC. (US) | 1999-10-12 | — | — | US | claimed |
| CN-109608387-A | The preparation of tirofiban hydrochloride | 海门慧聚药业有限公司 | 2019-04-12 | — | — | CN | disclosed |