Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19305003 | 0.98 | CES1 (0.48) | CES1SRCTDP1HTR1ACYP2D6 | |
| SCHEMBL10384830 | 0.85 | TDP1 (0.56) | CES1SRCTDP1HTR1ACYP2D6 | |
| SCHEMBL10384246 | 0.82 | NAAA (0.49) | CES1SRCTDP1HTR1ACYP2D6 | |
| SCHEMBL27558300 | 0.81 | CES1 (0.45) | CES1SRCTDP1HTR1ACYP2D6 | |
| SCHEMBL9680444 | 0.81 | NAAA (0.47) | CES1SRCTDP1HTR1ACYP2D6 | |
| SCHEMBL10385877 | 0.81 | POLB (0.46) | CES1TDP1MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL19305016 | 0.81 | NAAA (0.47) | CES1TDP1HTR1ACYP2D6SCN1A | |
| SCHEMBL11107515 | 0.80 | ADRB2 (0.48) | CES1SRCTDP1HTR1ACYP2D6 | |
| SCHEMBL10384826 | 0.78 | CES1 (0.56) | CES1SRCTDP1MEN1KMT2A | |
| SCHEMBL14819911 | 0.78 | CES1 (0.43) | CES1SRCTDP1HTR1ACYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585431-B1 | METAL FREE BLEACHING COMPOSITION | BASF SE (DE) | 2017-09-06 | — | — | EP | claimed |
| EP-2585431-B1 | METAL FREE BLEACHING COMPOSITION | BASF SE (DE) | 2017-09-06 | — | — | EP | disclosed |
| US-4960746-A | A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE | CIBA-GEIGY CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |