Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 4/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4715244 | 0.91 | ITGB1 (0.40) | ITGB1ITGA5KMT2ATDP1NR1D1 | |
| SCHEMBL4716885 | 0.76 | SIGMAR1 (0.48) | KMT2AF2MEN1HDAC1HDAC6 | |
| SCHEMBL4715032 | 0.75 | GRIN1 (0.41) | ITGB1ITGA5 | |
| SCHEMBL4714911 | 0.71 | CD274 (0.37) | ITGB1ITGA5MAPTALDH1A1ITGB3 | |
| SCHEMBL4715242 | 0.67 | GRIN1 (0.46) | KMT2AMEN1ITGB3 | |
| Bicarbonate SCHEMBL27358699 | 0.66 | CYP2D6 (0.56) | KMT2AF2MEN1ALDH1A1HDAC6 | |
| SCHEMBL8408488 | 0.66 | GBA1 (0.48) | ITGB1ITGA5KMT2AOPRD1ALDH1A1 | |
| SCHEMBL45768 | 0.65 | CA12 (0.57) | KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL11788673 | 0.64 | ITGB3 (0.50) | F2ALDH1A1ITGB3 | |
| Acetic Acid SCHEMBL28068598 | 0.64 | CYP2C9 (0.53) | KMT2AF2MEN1MAPTALDH1A1 |
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-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |
| US-6514964-B1 | Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors | AMGEN INC. | 2003-02-04 | — | — | US | disclosed |