Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 3/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.42 |
| ▸ | ITGAV | P06756 | 2/20 | 0.42 |
| ▸ | F10 | P00742 | 2/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7099303 | 0.92 | KDM4E (0.43) | CTSAITGB3ITGA2BITGAVMEN1 | |
| SCHEMBL7104880 | 0.91 | ITGB3 (0.43) | CTSAITGB3ITGA2BITGAVF10 | |
| SCHEMBL7100980 | 0.90 | ITGB3 (0.42) | ITGB3ITGA2BITGAVMEN1KMT2A | |
| SCHEMBL7105220 | 0.84 | ITGB3 (0.47) | ITGB3ITGAV | |
| SCHEMBL7104753 | 0.81 | ITGB3 (0.51) | CTSAITGB3ITGA2BITGAVMEN1 | |
| SCHEMBL7103717 | 0.80 | ITGB3 (0.46) | CTSAITGB3ITGA2BITGAVMEN1 | |
| SCHEMBL7261894 | 0.79 | S1PR3 (0.46) | CTSAITGB3ITGA2BITGAVKMT2A | |
| SCHEMBL7261904 | 0.77 | KMT2A (0.41) | CTSAITGB3ITGA2BITGAVKMT2A | |
| SCHEMBL7102257 | 0.74 | KMT2A (0.42) | CTSAITGB3ITGA2BITGAVCYP26A1 | |
| SCHEMBL7103319 | 0.74 | ITGB3 (0.46) | CTSAITGB3ITGA2BITGAVMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6649613-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-11-18 | — | — | US | claimed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | claimed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |