Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | FBP1 | P09467 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419888 | 0.91 | CYP1A1 (0.62) | CYP1A1CYP1B1MAOBCYP1A2AHR | |
| SCHEMBL9419886 | 0.91 | CYP1A1 (0.62) | CYP1A1CYP1B1MAOBCYP1A2AHR | |
| SCHEMBL9970464 | 0.91 | CYP1A2 (0.59) | CYP1A1CYP1B1MAOBCYP1A2AHR | |
| SCHEMBL28777799 | 0.86 | CYP1A2 (0.55) | CYP1A1CYP1B1CYP1A2AHRPTGS1 | |
| SCHEMBL9970459 | 0.83 | NFE2L2 (0.62) | MAOBPTGS1FBP1NQO2NFE2L2 | |
| SCHEMBL13790263 | 0.81 | AHR (0.68) | CYP1A1CYP1B1CYP1A2AHRPTGS1 | |
| SCHEMBL22931544 | 0.81 | AHR (0.68) | CYP1A1CYP1B1CYP1A2AHRPTGS1 | |
| SCHEMBL13790273 | 0.81 | AHR (0.68) | CYP1A1CYP1B1CYP1A2AHRPTGS1 | |
| SCHEMBL28156045 | 0.81 | CYP1A2 (0.50) | CYP1A1CYP1B1CYP1A2AHRPTGS1 | |
| SCHEMBL6418950 | 0.81 | MAOB (0.58) | CYP1A1CYP1B1MAOBCYP1A2AHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1089958-A4 | PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2002-10-09 | — | — | EP | disclosed |
| EP-1089958-A2 | PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND ALPHA,BETA-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS | Aventis Pharmaceuticals Products Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067192-A2 | PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-12-29 | — | — | WO | disclosed |