Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29566387 | 0.88 | CYP1A2 (0.54) | MAOBCYP1A2CYP2A6HTR2CNQO2 | |
| SCHEMBL29566047 | 0.88 | CYP1A2 (0.54) | MAOBCYP1A2CYP2A6HTR2CNQO2 | |
| SCHEMBL190030 | 0.88 | CYP1A2 (0.54) | MAOBCYP1A2CYP2A6HTR2CNQO2 | |
| SCHEMBL5673218 | 0.84 | CYP1A2 (0.55) | MAOBCYP1A2CYP2A6HTR2CNQO2 | |
| SCHEMBL3618006 | 0.84 | CYP1A2 (0.50) | MAOBCYP1A2CYP2A6HTR2CNQO2 | |
| SCHEMBL3627666 | 0.84 | CYP1A2 (0.50) | MAOBCYP1A2CYP2A6HTR2CNQO2 | |
| SCHEMBL3625535 | 0.76 | RELA (0.50) | CYP1A2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL283100 | 0.73 | TRPA1 (0.39) | CYP1A2HTR2CNQO2ESR1AHR | |
| SCHEMBL3629029 | 0.73 | RELA (0.47) | CYP1A2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL3624946 | 0.73 | RELA (0.47) | CYP1A2MEN1NPC1RAB9AKMT2A |
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-0961765-B1 | PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES | ALBEMARLE CORP (US) | 2003-07-09 | — | — | EP | claimed |
| US-6096920-A | LARGE-SCALE PRODUCTION OF CERTAIN AROMATICALLY-SUBSTITUTED ALIPHATIC CARBOXYLIC ACIDS AND THEIR ACID DERIVATIVES | ALBEMARLE CORPORATION (US) | 2000-08-01 | — | — | US | claimed |
| EP-0961765-A2 | PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES | ALBEMARLE CORPORATION (US) | 1999-12-08 | — | — | EP | claimed |
| WO-1998030529-A2 | PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES | ALBEMARLE CORPORATION (US) | 1998-07-16 | — | — | WO | claimed |