Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | IDE | P14735 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.41 |
| ▸ | ITGAV | P06756 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14289015 | 0.74 | ITGB3 (0.60) | NPC1RAB9AITGB3ITGAVHTT | |
| SCHEMBL8684069 | 0.71 | RAB9A (0.46) | KDM4EALDH1A1HPGDL3MBTL1MAPK1 | |
| SCHEMBL8682249 | 0.70 | NPC1 (0.41) | ALDH1A1NPC1RAB9AMAPTITGB3 | |
| SCHEMBL11562843 | 0.70 | HCAR3 (0.54) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL8683774 | 0.67 | SLC16A3 (0.41) | KDM4ERAB9AITGB3ITGAVMEN1 | |
| Hydrochloric Acid SCHEMBL8684217 | 0.66 | F2RL3 (0.46) | KDM4EALDH1A1MAPK1RAB9AMAPT | |
| SCHEMBL8682759 | 0.65 | ITGB3 (0.40) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL8683591 | 0.65 | NPC1 (0.43) | ALDH1A1CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL16607505 | 0.65 | ALDH1A1 (0.53) | ALDH1A1HPGDNPC1RAB9AITGB3 | |
| SCHEMBL11954569 | 0.65 | TOP2A (0.57) | ALDH1A1HPGDCYP2D6CYP2C19CYP3A4 |
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-5760028-A | TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-02 | — | — | US | disclosed |