Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650229 | 0.84 | ACHE (0.36) | ACHEMAPK14NPC1RAB9APTGS2 | |
| SCHEMBL3992773 | 0.83 | ACHE (0.35) | ACHEMEN1KMT2APTGS2KDM4E | |
| SCHEMBL17180554 | 0.80 | TAAR1 (0.38) | CYP1A2NPC1RAB9AKMT2APTGS2 | |
| SCHEMBL439377 | 0.79 | BRD4 (0.37) | ACHENPC1RAB9AKMT2APTGS2 | |
| SCHEMBL7064610 | 0.77 | PTGS2 (0.41) | ACHENPC1RAB9APTGS2KDM4E | |
| SCHEMBL2525468 | 0.73 | ALDH1A1 (0.33) | ACHEALDH1A1 | |
| SCHEMBL4275475 | 0.73 | HPGDS (0.40) | CYP1A2NPC1RAB9APTGS2 | |
| SCHEMBL5850271 | 0.73 | HSD17B10 (0.46) | ACHEMEN1NPC1RAB9AKMT2A | |
| SCHEMBL7455159 | 0.69 | RAB9A (0.41) | ACHEMEN1NPC1RAB9AKMT2A | |
| SCHEMBL3909730 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072207-A1 | AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-16 | — | — | WO | disclosed |
| EP-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | disclosed |