Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.56 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9921695 | 0.92 | TDP1 (0.59) | CES2CES1PDCD1CD274NPC1 | |
| SCHEMBL14722551 | 0.92 | TDP1 (0.59) | CES2CES1PDCD1CD274NPC1 | |
| SCHEMBL20259489 | 0.92 | TDP1 (0.59) | CES2CES1PDCD1CD274NPC1 | |
| SCHEMBL1786752 | 0.90 | TSHR (0.63) | PDCD1CD274NPC1RAB9ATSHR | |
| SCHEMBL13625602 | 0.90 | TSHR (0.63) | PDCD1CD274NPC1RAB9ATSHR | |
| SCHEMBL25846716 | 0.90 | TSHR (0.63) | PDCD1CD274NPC1RAB9ATSHR | |
| SCHEMBL10239104 | 0.90 | TSHR (0.63) | PDCD1CD274NPC1RAB9ATSHR | |
| SCHEMBL29311500 | 0.90 | TSHR (0.63) | PDCD1CD274NPC1RAB9ATSHR | |
| SCHEMBL13700339 | 0.90 | TSHR (0.63) | PDCD1CD274NPC1RAB9ATSHR | |
| SCHEMBL4576789 | 0.85 | TDP1 (0.55) | CES2CES1PDCD1CD274NPC1 |
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-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 |