Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL7042389 | 0.82 | KIF11 (0.42) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL9274665 | 0.74 | CASR (0.46) | CASRPTPN1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL30344974 | 0.74 | ALDH1A1 (0.44) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL3681420 | 0.74 | ALDH1A1 (0.44) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL1321899 | 0.74 | ALDH1A1 (0.44) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP2A6 | |
| Hydrochloric Acid SCHEMBL7002857 | 0.73 | — | — | |
| SCHEMBL9035784 | 0.73 | MAPT (0.38) | PTPRCPTPN1CYP2D6ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL12802175 | 0.72 | CASR (0.45) | CASRPTPN1CYP3A4CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL16653113 | 0.72 | ALDH1A1 (0.43) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| Hydrochloric Acid SCHEMBL12614790 | 0.72 | ALDH1A1 (0.43) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1204645-A2 | MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2002-05-15 | — | — | EP | claimed |
| WO-2001010842-A2 | MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2001-02-15 | — | — | WO | claimed |