Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.54 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PRKCA | P17252 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12559135 | 0.94 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL16217651 | 0.94 | ADRB2 (0.59) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL6370486 | 0.94 | ADRB2 (0.59) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL16217637 | 0.94 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL1784739 | 0.94 | ADRB2 (0.59) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL16217658 | 0.94 | ADRB2 (0.59) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL2618310 | 0.94 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL14947115 | 0.94 | ADRB2 (0.59) | NPC1RAB9AALDH1A1ADRB2ADRB1 | |
| SCHEMBL227395 | 0.92 | ALDH1A1 (0.62) | NPC1ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL16019900 | 0.92 | ALDH1A1 (0.62) | NPC1ALDH1A1ADRB2ADRB1ADRB3 |
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 |