Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6352105 | 0.76 | CYP3A4 (0.33) | ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL7498143 | 0.73 | CYP3A4 (0.34) | CYP11B1CYP11B2NPC1MAPTRAB9A | |
| SCHEMBL4575125 | 0.73 | APP (0.34) | ALDH1A1MAPTHPGDCYP3A4CYP2C9 | |
| SCHEMBL7500755 | 0.73 | PIK3CD (0.35) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL5254676 | 0.72 | CYP3A4 (0.39) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL4163641 | 0.72 | CYP3A4 (0.49) | NPC1ALDH1A1MAPTRAB9ACYP3A4 | |
| SCHEMBL6634450 | 0.71 | ALDH1A1 (0.35) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| Bromide SCHEMBL7554050 | 0.71 | CYP3A4 (0.48) | NPC1ALDH1A1MAPTRAB9ACYP3A4 | |
| SCHEMBL4165967 | 0.69 | KDM4E (0.42) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| Bromide SCHEMBL4880840 | 0.68 | CYP3A4 (0.41) | NPC1ALDH1A1MAPTHPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011036885-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2011-03-31 | — | — | WO | disclosed |