Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14645957 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EPOLBHSD17B10 | |
| SCHEMBL14645997 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EPOLBHSD17B10 | |
| SCHEMBL14645962 | 0.78 | KDM4E (0.42) | ALDH1A1HPGDKDM4EHSD17B10TSHR | |
| SCHEMBL14645817 | 0.76 | KDM4E (0.42) | ALDH1A1KDM4EPOLBHSD17B10L3MBTL1 | |
| SCHEMBL10769054 | 0.72 | KDM4E (0.38) | ALDH1A1KDM4ETSHRL3MBTL1BRS3 | |
| SCHEMBL14645847 | 0.70 | KDM4E (0.46) | KDM4EHSD17B10L3MBTL1TDP1GABRP | |
| SCHEMBL14645991 | 0.70 | HTT (0.44) | ALDH1A1HPGDKDM4EPOLBHSD17B10 | |
| SCHEMBL2535736 | 0.67 | KDM4E (0.38) | ALDH1A1KDM4EPOLBTSHRL3MBTL1 | |
| SCHEMBL12474718 | 0.65 | KDM4E (0.42) | ALDH1A1HPGDKDM4EHSD17B10BRS3 | |
| SCHEMBL3221189 | 0.64 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHRL3MBTL1LMNA |
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-2729444-B1 | METHOD FOR MANUFACTURING 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE | BAYER IP GMBH (DE) | 2017-08-23 | — | — | EP | disclosed |
| EP-2729444-A1 | METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE | Bayer Intellectual Property GmbH (DE) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013007603-A1 | METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-01-17 | — | — | WO | disclosed |