Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.44 |
| ▸ | ITGAV | P06756 | 3/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL5878410 | 0.84 | ITGB3 (0.62) | ALDH1A1ITGB3ITGAVMEN1KMT2A | |
| SCHEMBL5878414 | 0.84 | ITGB3 (0.62) | ALDH1A1ITGB3ITGAVMEN1KMT2A | |
| SCHEMBL6771852 | 0.80 | ITGB3 (0.46) | ITGB3ITGAVNAMPTDHODH | |
| SCHEMBL5878214 | 0.75 | ITGB3 (0.77) | ALDH1A1ITGB3ITGAVL3MBTL1 | |
| SCHEMBL5878211 | 0.75 | ITGB3 (0.77) | ALDH1A1ITGB3ITGAVL3MBTL1 | |
| SCHEMBL5878520 | 0.74 | ITGB3 (0.53) | ALDH1A1ITGB3ITGAVMEN1KMT2A | |
| SCHEMBL5878292 | 0.74 | ITGB3 (0.62) | ALDH1A1ITGB3ITGAVMEN1KMT2A | |
| SCHEMBL5878297 | 0.74 | ITGB3 (0.62) | ALDH1A1ITGB3ITGAVMEN1KMT2A | |
| SCHEMBL2705227 | 0.72 | ALDH1A1 (0.56) | ALDH1A1LMNASMN1; SMN2TSHRRAB9A | |
| SCHEMBL6773278 | 0.71 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6677360-B2 | TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-01-13 | — | — | US | disclosed |