Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30361595 | 0.98 | NPC1 (0.53) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL442330 | 0.98 | NPC1 (0.53) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL4255018 | 0.95 | NPC1 (0.56) | NPC1RAB9AMEN1MAPTKMT2A | |
| Dimethylamine SCHEMBL6378361 | 0.91 | NPC1 (0.53) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL17666102 | 0.91 | NPC1 (0.46) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL10263577 | 0.81 | SRD5A1 (0.44) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL14419145 | 0.81 | HRH3 (0.49) | CYP1A2 | |
| SCHEMBL14886104 | 0.81 | HTR2C (0.52) | — | |
| SCHEMBL24451656 | 0.79 | PNMT (0.43) | — | |
| SCHEMBL12465056 | 0.79 | PNMT (0.43) | — |
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-2019182886-A1 | OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-09-26 | — | — | WO | disclosed |