Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.86 |
| ▸ | CA2 | P00918 | 1/20 | 0.86 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.78 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.78 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.78 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | TSHR | P16473 | 8/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL2864306 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL20271 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL74067 | 0.92 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL4602015 | 0.92 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL22190333 | 0.92 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL14892433 | 0.92 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL5842020 | 0.92 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CA2PRSS1PRSS2 |
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-0398774-B1 | Process for the preparation of brominated derivatives from alcohols | RHONE POULENC CHIMIE (FR) | 1997-09-10 | — | — | EP | disclosed |
| EP-0398774-A1 | Process for the preparation of brominated derivatives from alcohols | RHONE-POULENC CHIMIE (FR) | 1990-11-22 | — | — | EP | disclosed |