Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 2/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL7983868 | 0.90 | ITGB3 (0.44) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8492974 | 0.89 | ITGB3 (0.45) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7969575 | 0.89 | ITGB3 (0.45) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7445498 | 0.85 | CRHBP (0.35) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL7986512 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL8488362 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7981888 | 0.85 | ITGB3 (0.50) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL7969557 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL8489120 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7985139 | 0.85 | ITGB3 (0.49) | ITGB3ITGA2BCYP3A4CYP2C19CYP2C9 |
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-6191282-B1 | DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT | HOECHST MARION ROUSSEL (DE) | 2001-02-20 | — | — | US | disclosed |
| US-5981492-A | ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-09 | — | — | US | disclosed |