Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL10948872 | 1.00 | KDM1A (0.37) | KDM1ACES1NR4A1NR4A2NR4A3 | |
| SCHEMBL10948864 | 1.00 | KDM1A (0.37) | KDM1ACES1NR4A1NR4A2NR4A3 | |
| SCHEMBL7131115 | 0.81 | KDM1A (0.37) | KDM1ACES1DEGS1ESR1CES2 | |
| SCHEMBL7131123 | 0.81 | KDM1A (0.37) | KDM1ACES1DEGS1ESR1CES2 | |
| SCHEMBL27574053 | 0.77 | KDM1A (0.42) | KDM1ACES1DEGS1ESR1CES2 | |
| SCHEMBL17169104 | 0.77 | CES2 (0.38) | CES1CES2LMNA | |
| SCHEMBL7550545 | 0.75 | KDM1A (0.41) | KDM1ACES1DEGS1ESR1CES2 | |
| SCHEMBL7803264 | 0.73 | KDM1A (0.42) | KDM1ACES1DEGS1ESR1CES2 | |
| SCHEMBL3631547 | 0.73 | KDM1A (0.42) | KDM1ACES1DEGS1ESR1CES2 | |
| SCHEMBL10591109 | 0.73 | KDM1A (0.42) | KDM1ACES1DEGS1ESR1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4532020-A | Reacting alkyne with fluorine-containing aldehyde in presence of catalyst under ultrasonic irradiation | DAIKIN KOGYO CO., LTD. (JP) | 1985-07-30 | — | — | US | disclosed |
| EP-0118890-A1 | Process for preparing a beta-(fluoroalkyl or fluoroalkenyl)-beta-hydroxyalkyne and an alpha-(fluoroalkyl or fluoroalkenyl)-allyl alcohol thereof | Daikin Kogyo Co., Ltd. (JP) | 1984-09-19 | — | — | EP | disclosed |