Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 9/20 | 0.42 |
| ▸ | ITGAV | P06756 | 9/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14195947 | 1.00 | ITGB3 (0.42) | ITGB3ITGAVITGA2BF2NOS2 | |
| SCHEMBL14195948 | 1.00 | ITGB3 (0.42) | ITGB3ITGAVITGA2BF2NOS2 | |
| SCHEMBL14195945 | 0.90 | ITGB3 (0.48) | ITGB3ITGAVITGA2BNOS2ITGB1 | |
| SCHEMBL4805768 | 0.90 | ITGB3 (0.48) | ITGB3ITGAVITGA2BNOS2ITGB1 | |
| SCHEMBL14195949 | 0.90 | ITGB3 (0.48) | ITGB3ITGAVITGA2BNOS2ITGB1 | |
| SCHEMBL14224073 | 0.88 | ITGB3 (0.43) | ITGB3ITGAVITGA2BF2NOS2 | |
| SCHEMBL8486338 | 0.84 | NPC1 (0.36) | NOS2GRIN2BNPC1RAB9AALDH1A1 | |
| SCHEMBL8485605 | 0.79 | ALDH1A1 (0.34) | NPC1RAB9AADRA1AALDH1A1SMN1; SMN2 | |
| SCHEMBL8487967 | 0.76 | ITGB3 (0.42) | ITGB3ITGAVITGA2BDPP4ALDH1A1 | |
| SCHEMBL4720020 | 0.76 | ITGB3 (0.46) | ITGB3ITGAVITGA2BNOS2ITGB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506779-B1 | (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina | JANSSEN PHARMACEUTICA NV (BE) | 2006-07-12 | — | — | EP | disclosed |