Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL18799832 | 1.00 | NPC1 (0.50) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL13257963 | 0.90 | NPC1 (0.54) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL3127028 | 0.83 | MAPT (0.50) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL12319819 | 0.82 | NPC1 (0.47) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL18922040 | 0.82 | NPC1 (0.47) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL18922038 | 0.80 | RECQL (0.53) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL8747046 | 0.79 | CYP1A2 (0.52) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL22646247 | 0.79 | RECQL (0.44) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL28661309 | 0.79 | MMP1 (0.57) | NPC1RAB9ARECQLHPGDALDH1A1 | |
| SCHEMBL16805990 | 0.79 | RECQL (0.44) | NPC1RAB9ARECQLHPGDALDH1A1 |
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-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |