Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14722275 | 1.00 | TSHR (0.54) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL13410610 | 0.94 | TSHR (0.59) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL6578044 | 0.90 | TDP1 (0.64) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL29735076 | 0.89 | TDP1 (0.55) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL14984030 | 0.89 | TDP1 (0.62) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL14722813 | 0.89 | TDP1 (0.55) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL29735153 | 0.89 | TDP1 (0.55) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL6578053 | 0.89 | TDP1 (0.62) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL14721986 | 0.87 | TDP1 (0.72) | TSHRESR1LMNACYP1A2CYP2C19 | |
| SCHEMBL14926483 | 0.87 | TSHR (0.53) | TSHRESR1LMNACYP1A2CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751061-A1 | UNSYMMETRICAL ALPHA, GAMMA-ALKYLENE-DI-P-TOLUATES, THE PRODUCTION THEREOF AND THEIR USE | Invista Technologies S.a r.l. (CH) | 2014-07-09 | — | — | EP | disclosed |
| EP-2748246-A1 | 1,2-ALKYLENE-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | Invista Technologies S.a r.l. (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026916-A1 | 1,2-ALKYLENE-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | INVISTA TECHNOLOGIES S.À.R.L (CH) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013026918-A1 | UNSYMMETRICAL Α,Γ-ALKYLENE-DI-P-TOLUATES, THE PRODUCTION THEREOF AND THEIR USE | INVISTA TECHNOLOGIES S.À.R.L (CH) | 2013-02-28 | — | — | WO | disclosed |