Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GFER | P55789 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL3797317 | 0.86 | HSP90AB1 (0.45) | ALDH1A1KMT2AMAPK1HSP90AB1HSP90AA1 | |
| SCHEMBL191370 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KMT2AMAPK1HSP90AB1HSP90AA1 | |
| SCHEMBL26287549 | 0.74 | HSP90AB1 (0.38) | ALDH1A1KMT2AHSP90AB1HSP90AA1KDM4E | |
| SCHEMBL30649291 | 0.73 | KDM4E (0.59) | ALDH1A1KMT2AHSP90AB1HSP90AA1KDM4E | |
| SCHEMBL16921630 | 0.72 | AGXT (0.46) | KMT2AHSP90AB1HSP90AA1DHFRAGXT | |
| SCHEMBL3393909 | 0.71 | LMNA (0.44) | ALDH1A1KMT2AHSP90AB1HSP90AA1DHFR | |
| SCHEMBL3392208 | 0.71 | KDM4E (0.47) | ALDH1A1KMT2AHSP90AB1HSP90AA1KDM4E | |
| SCHEMBL4276650 | 0.71 | KDM4E (0.47) | ALDH1A1KMT2AHSP90AB1HSP90AA1DHFR | |
| SCHEMBL3395256 | 0.71 | HSP90AB1 (0.42) | ALDH1A1KMT2AHSP90AB1HSP90AA1DHFR | |
| SCHEMBL3798565 | 0.70 | ALDH1A1 (0.40) | ALDH1A1KMT2AMAPK1KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678591-A | Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation | BOEHRINGER INGELHEIM INT (DE) | 2005-10-05 | — | — | CN | disclosed |