Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.72 |
| ▸ | ESR1 | P03372 | 3/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.72 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | STS | P08842 | 6/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL37477 | 0.98 | TSHR (0.74) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| Terephthalic Acid SCHEMBL21044732 | 0.98 | TSHR (0.74) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL20240892 | 0.96 | TSHR (0.72) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| SCHEMBL9726249 | 0.93 | ALDH1A1 (0.71) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| SCHEMBL1991694 | 0.93 | NPC1 (0.71) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| Hydrogen Peroxide SCHEMBL28645617 | 0.93 | ESR1 (0.82) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| SCHEMBL27647502 | 0.93 | ESR1 (0.82) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| Butylparaben SCHEMBL6142008 | 0.92 | ESR1 (0.87) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| Benzoic Acid SCHEMBL21332486 | 0.91 | LMNA (0.71) | TSHRLMNAESR1CYP1A2CYP2C19 | |
| SCHEMBL3665530 | 0.91 | ALDH1A1 (0.73) | TSHRLMNAESR1CYP1A2CYP2C19 |
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-5078907-A | UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0426217-A2 | Bleach precursors | UNILEVER N.V. (NL) | 1991-05-08 | — | — | EP | disclosed |