Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 13/20 | 0.45 |
| ▸ | PPARA | Q07869 | 11/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL10834165 | 0.90 | ATM (0.41) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11722302 | 0.81 | CYP1A2 (0.54) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL6232699 | 0.80 | CYP3A4 (0.51) | CYP1A2GAACYP2C9CYP2C19PPARG | |
| SCHEMBL10924569 | 0.73 | PPARG (0.48) | PPARGPPARAMAPTNPC1LMNA | |
| SCHEMBL7759036 | 0.70 | DRD1 (0.59) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11513352 | 0.70 | HPGD (0.45) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL7976627 | 0.70 | CYP1A2 (1.00) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL10165376 | 0.70 | GAA (0.53) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL7978298 | 0.70 | CYP1A2 (1.00) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL16005531 | 0.70 | ELANE (0.69) | CYP1A2GAACYP2C9PKMCYP2C19 |
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-0046532-B1 | 3,3-DIMETHYL-1-FLUORO-1-PHENOXY-2-BUTANONES(OLS), PROCESS FOR THEIR PREPARATION AND THEIR USE | BAYER AG (DE) | 1983-09-14 | — | — | EP | disclosed |
| EP-0046532-A1 | 3,3-Dimethyl-1-fluoro-1-phenoxy-2-butanones(ols), process for their preparation and their use | BAYER AG (DE) | 1982-03-03 | — | — | EP | disclosed |