Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL16594620 | 0.79 | FFAR1 (0.35) | ESR1ESR2CYP3A4ALOX15CYP1A2 | |
| SCHEMBL16308021 | 0.78 | KDM4E (0.40) | MAPTKDM4ECYP3A4ALOX15TDP1 | |
| SCHEMBL194133 | 0.78 | KDM4E (0.40) | MAPTKDM4ECYP3A4ALOX15TDP1 | |
| SCHEMBL6908881 | 0.77 | ADRB1 (0.43) | ESR1ESR2KDM4ECYP3A4LMNA | |
| SCHEMBL10293030 | 0.77 | MAPT (0.42) | MAPTCYP2C9TDP1LMNACYP2C19 | |
| SCHEMBL11559290 | 0.75 | — | — | |
| SCHEMBL25025738 | 0.75 | PDE2A (0.39) | PTGS1 | |
| Hydroquinone SCHEMBL4865344 | 0.73 | IDO1 (0.44) | ESR1ESR2TDP1LMNACYP1A2 | |
| SCHEMBL2512150 | 0.73 | SRD5A2 (0.48) | LMNACYP1A2CYP2D6PTGS1CYP2C19 | |
| SCHEMBL7091649 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1481959-A1 | Process for the preparation of lactones and aromatic hydroxycarboxylic acids | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2004-12-01 | — | — | EP | disclosed |