Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18676864 | 1.00 | SPHK1 (0.41) | SPHK1PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL13782307 | 0.79 | SPHK1 (0.33) | SPHK1PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL25000895 | 0.79 | SPHK1 (0.35) | SPHK1EPHX1EPHX2SPHK2 | |
| SCHEMBL9414358 | 0.78 | ESR2 (0.41) | SPHK1ALDH1A1CYP3A4CES2ALOX15 | |
| SCHEMBL2525156 | 0.76 | S1PR5 (0.43) | ALDH1A1LMNAALOX15CYP1B1 | |
| SCHEMBL9414353 | 0.74 | ALDH1A1 (0.40) | ALDH1A1KDM4ELMNAALOX15CYP1B1 | |
| SCHEMBL27826327 | 0.73 | PTGS2 (0.39) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9414347 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4ALOX15CYP1B1 | |
| SCHEMBL2969313 | 0.71 | SPHK1 (0.35) | SPHK1ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL6900524 | 0.71 | CES2 (0.32) | ALDH1A1CES2ALOX15CYP1B1 |
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-2011021257-A1 | METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND | 旭化成ケミカルズ株式会社 (JP) | 2011-02-24 | — | — | WO | disclosed |