Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FTO | Q9C0B1 | 8/20 | 0.62 |
| ▸ | COMT | P21964 | 6/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.56 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29493661 | 0.80 | FTO (0.53) | FTOCOMTMEN1KMT2AGPR35 | |
| SCHEMBL4939234 | 0.78 | COMT (0.41) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL7400712 | 0.77 | COMT (0.62) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL20100822 | 0.77 | COMT (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL29493648 | 0.77 | COMT (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL20100829 | 0.76 | COMT (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL4941597 | 0.76 | FTO (0.38) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL4941605 | 0.76 | FTO (0.38) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL4939247 | 0.74 | FTO (0.39) | FTOCOMTMEN1KMT2AABCC3 | |
| SCHEMBL23852160 | 0.74 | COMT (0.59) | FTOCOMTMEN1KMT2AABCC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009084031-A2 | AN IMPROVED PROCESS FOR PREPARATION OF (2E)-2-CYANO-3-(3,4- DIHYDROXY-5-NITROPHENYL)N,N-DIETHYL-2-PROPENAMIDE POLYMORPHIC FORM A | NEULAND LABORATORIES LTD (IN) | 2009-07-09 | — | — | WO | claimed |
| WO-2009084031-A2 | AN IMPROVED PROCESS FOR PREPARATION OF (2E)-2-CYANO-3-(3,4- DIHYDROXY-5-NITROPHENYL)N,N-DIETHYL-2-PROPENAMIDE POLYMORPHIC FORM A | NEULAND LABORATORIES LTD (IN) | 2009-07-09 | — | — | WO | disclosed |