Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MYC | P01106 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12171906 | 0.88 | NPC1 (0.62) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL12171344 | 0.86 | NPC1 (0.65) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL12171355 | 0.82 | NPC1 (0.59) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL17847387 | 0.80 | MYC (0.55) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL1505190 | 0.79 | KMO (0.61) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL12171813 | 0.78 | NPC1 (0.82) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL4883318 | 0.78 | NPC1 (1.00) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL12171406 | 0.77 | NPC1 (0.73) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL12171414 | 0.76 | NPC1 (0.96) | NPC1RAB9AKMT2ATSHRALDH1A1 | |
| SCHEMBL12171351 | 0.76 | NPC1 (0.71) | NPC1RAB9AKMT2ATSHRALDH1A1 |
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-3233806-B1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS | GALDERMA RES & DEV (FR) | 2021-10-27 | — | — | EP | disclosed |