Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5196952 | 0.82 | AKR1C1 (0.56) | AKR1C1KMT2AMEN1ALDH1A1NR1H4 | |
| SCHEMBL20377913 | 0.82 | ALDH1A1 (0.44) | KMT2AMEN1ALDH1A1NR1H4CYP3A4 | |
| SCHEMBL13103426 | 0.76 | MEN1 (0.72) | KMT2AMEN1ALDH1A1NR1H4CYP3A4 | |
| SCHEMBL29117651 | 0.76 | ALDH1A1 (0.55) | KMT2AALDH1A1NR1H4CYP3A4SLC6A2 | |
| SCHEMBL14198607 | 0.76 | MEN1 (0.72) | KMT2AMEN1ALDH1A1NR1H4CYP3A4 | |
| Alcohol SCHEMBL27937505 | 0.76 | AKR1C1 (0.81) | AKR1C1KMT2AMEN1ALDH1A1AKR1C3 | |
| SCHEMBL9355852 | 0.76 | RECQL (0.57) | KMT2AMEN1ALDH1A1NR1H4CYP3A4 | |
| SCHEMBL9574167 | 0.75 | NR1H4 (0.47) | KMT2AMEN1ALDH1A1NR1H4CYP3A4 | |
| SCHEMBL28717991 | 0.75 | NR1H4 (0.47) | KMT2AMEN1ALDH1A1NR1H4CYP3A4 | |
| SCHEMBL39275 | 0.74 | AKR1C1 (1.00) | AKR1C1KMT2AMEN1ALDH1A1AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180200553-A1 | COMPOSITION COMPRISING FLUORINE-CONTAINING KETONE | SINOCHEM LANTIAN CO., LTD (CN) | 2018-07-19 | — | — | US | claimed |