Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29404525 | 0.88 | — | — | |
| SCHEMBL29314 | 0.88 | — | — | |
| Lithium SCHEMBL9651351 | 0.84 | — | — | |
| SCHEMBL30007372 | 0.84 | — | — | |
| SCHEMBL9651341 | 0.84 | — | — | |
| SCHEMBL24508036 | 0.80 | ALDH1A1 (0.92) | CYP2A6ALDH1A1TDP1MAPK1ALOX15 | |
| SCHEMBL18508 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL5898900 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1ALOX15NPC1 | |
| SCHEMBL673353 | 0.76 | MAPK1 (0.71) | CYP2A6ALDH1A1TDP1MAPK1NPC1 | |
| SCHEMBL18173351 | 0.76 | ALDH1A1 (0.50) | CYP2A6ALDH1A1TDP1MAPK1ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016172120-A1 | PREPARATION OF MIXTURES OF BROMINATED BENZENES PREDOMINANT IN DIBROMOBENZENES AND TRIBROMOBENZENES | ALBEMARLE CORPORATION (US) | 2016-10-27 | — | — | WO | disclosed |