Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723652 | 0.93 | AKR1C3 (0.45) | AKR1C3PANK3KCNH2HDAC1GRIN2D | |
| SCHEMBL15653977 | 0.82 | DGAT1 (0.40) | KCNH2GRIN2BCYP2C9CYP3A4DGAT1 | |
| SCHEMBL1728874 | 0.79 | AKR1C3 (0.50) | AKR1C3PANK3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL31140038 | 0.79 | AKR1C3 (0.50) | AKR1C3PANK3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL15654949 | 0.78 | RET (0.35) | AKR1C3PPARGPPARDPPARATSHR | |
| SCHEMBL15205294 | 0.77 | TRPV1 (0.50) | AKR1C3KCNH2 | |
| SCHEMBL997974 | 0.77 | TRPV1 (0.50) | AKR1C3KCNH2 | |
| SCHEMBL15206576 | 0.77 | TRPV1 (0.50) | AKR1C3KCNH2 | |
| SCHEMBL3729563 | 0.76 | KDM4E (0.53) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9993486 | 0.76 | RET (0.37) | RET |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393809-A2 | DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2011-12-14 | — | — | EP | claimed |
| WO-2010089510-A2 | DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2010-08-12 | — | — | WO | claimed |
| EP-2393809-B1 | DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI SA (FR) | 2014-04-30 | — | — | EP | disclosed |