Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8487183 | 0.84 | ITGB3 (0.42) | NPC1RAB9AALDH1A1NOS2SMN1; SMN2 | |
| SCHEMBL14195948 | 0.84 | ITGB3 (0.42) | NPC1RAB9AALDH1A1NOS2SMN1; SMN2 | |
| SCHEMBL14195947 | 0.84 | ITGB3 (0.42) | NPC1RAB9AALDH1A1NOS2SMN1; SMN2 | |
| SCHEMBL8485605 | 0.78 | ALDH1A1 (0.34) | NPC1RAB9AALDH1A1MAPK1BCHE | |
| SCHEMBL14195945 | 0.74 | ITGB3 (0.48) | NOS2GRIN2B | |
| SCHEMBL14195949 | 0.74 | ITGB3 (0.48) | NOS2GRIN2B | |
| SCHEMBL4805768 | 0.74 | ITGB3 (0.48) | NOS2GRIN2B | |
| SCHEMBL8497981 | 0.72 | SLC6A2 (0.44) | — | |
| SCHEMBL14195942 | 0.72 | SLC6A2 (0.44) | — | |
| SCHEMBL14195934 | 0.66 | EGFR (0.39) | — |
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 |