Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.62 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | STS | P08842 | 7/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL15315380 | 0.85 | ESR1 (0.72) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27484346 | 0.85 | ESR1 (0.72) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL7196426 | 0.84 | ESR1 (0.74) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL37476 | 0.83 | ESR1 (0.85) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL19690705 | 0.83 | ESR1 (0.68) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL4438838 | 0.83 | ESR1 (0.68) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butyl Alcohol SCHEMBL7782733 | 0.83 | LMNA (0.69) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL12092865 | 0.82 | ALDH1A1 (0.71) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Hydrogen Peroxide SCHEMBL28645617 | 0.82 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27647430 | 0.82 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 |
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-2134671-A1 | LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE | Eastman Chemical Company (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008130483-A1 | LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE | EASTMAN CHEMICAL COMPANY (US) | 2008-10-30 | — | — | WO | disclosed |