Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL14905957 | 0.87 | NPC1 (0.56) | NPC1SIGMAR1TDP1ALDH1A1AR | |
| SCHEMBL14902532 | 0.86 | NPC1 (0.51) | NPC1SIGMAR1TACR1TDP1ALDH1A1 | |
| SCHEMBL14902500 | 0.85 | NPC1 (0.58) | NPC1SIGMAR1TDP1ALDH1A1POLB | |
| SCHEMBL14902533 | 0.84 | NPC1 (0.53) | NPC1SIGMAR1TDP1ALDH1A1AR | |
| SCHEMBL14902511 | 0.84 | ALDH1A1 (0.46) | NPC1ALDH1A1 | |
| SCHEMBL14902492 | 0.82 | ALDH1A1 (0.48) | NPC1ALDH1A1 | |
| SCHEMBL14905956 | 0.82 | NPC1 (0.54) | NPC1SIGMAR1TDP1ALDH1A1RAB9A | |
| SCHEMBL14902494 | 0.81 | NPC1 (0.54) | NPC1SIGMAR1TDP1ALDH1A1POLB | |
| SCHEMBL14902508 | 0.80 | SIGMAR1 (0.46) | SIGMAR1 | |
| SCHEMBL28089189 | 0.79 | NPC1 (0.52) | NPC1SIGMAR1TDP1ALDH1A1 |
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-2013064450-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-10 | — | — | WO | disclosed |