Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.70 |
| ▸ | PDE4A | P27815 | 1/20 | 0.69 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.69 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7330391 | 1.00 | ABCG2 (0.70) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28906337 | 0.88 | NR1H4 (0.70) | ABCG2MEN1NPC1MAPTRAB9A | |
| SCHEMBL9982860 | 0.87 | ABCG2 (0.86) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9982858 | 0.87 | ABCG2 (0.86) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9986620 | 0.86 | ABCG2 (0.84) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9986622 | 0.86 | ABCG2 (0.84) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25191354 | 0.83 | MAOB (0.77) | ABCG2MEN1MAPTRAB9AKMT2A | |
| SCHEMBL30382414 | 0.83 | MAOB (0.77) | ABCG2MEN1MAPTRAB9AKMT2A | |
| SCHEMBL25195133 | 0.83 | MAOB (0.77) | ABCG2MEN1MAPTRAB9AKMT2A | |
| SCHEMBL25204002 | 0.82 | ABCG2 (0.68) | ABCG2MEN1NPC1MAPTRAB9A |
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-5430047-A | Neurotensin antagonists | WARNER-LAMBERT COMPANY (US) | 1995-07-04 | — | — | US | disclosed |