Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TST | Q16762 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27502136 | 0.88 | ENPP2 (0.44) | ABATESR1SLC6A2ADRA2AADORA3 | |
| SCHEMBL27504308 | 0.82 | ABAT (0.61) | ABATESR1SLC6A2ADRA2AKDM4E | |
| SCHEMBL6883552 | 0.81 | ESR1 (0.56) | ESR1KDM4EALDH1A1LMNAHSD17B10 | |
| SCHEMBL6875817 | 0.81 | ACHE (0.48) | ESR1SLC6A2ADRA2AADORA3TACR2 | |
| SCHEMBL27489192 | 0.80 | DRD2 (0.36) | ABATESR1KDM4EALDH1A1LMNA | |
| SCHEMBL27487451 | 0.77 | ESR1 (0.41) | ESR1ALDH1A1LMNAHSD17B10NR1H2 | |
| SCHEMBL20161341 | 0.77 | MAPT (0.43) | ALDH1A1CYP3A4EGFRCHRM2CHRM5 | |
| SCHEMBL6882013 | 0.76 | ALDH1A1 (0.46) | ESR1ADRA2AADORA3SLC6A4ALDH1A1 | |
| SCHEMBL28852800 | 0.74 | ESR1 (0.45) | ESR1SLC6A2ADRA2AADORA3TACR2 | |
| SCHEMBL27502153 | 0.74 | ABAT (0.67) | ABATESR1SLC6A2ADRA2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-100357258-C | Production of keto acids | CIBA SC HOLDING AG (CH) | 2007-12-26 | — | — | CN | disclosed |
| CN-1301962-C | Production of keto acids | CIBA SC HOLDING AG (CH) | 2007-02-28 | — | — | CN | disclosed |
| CN-1575274-A | Production of keto acids | CIBA SC HOLDING AG (CH) | 2005-02-02 | — | — | CN | disclosed |
| CN-1197062-A | Production of keto acids | CIBA SC HOLDING AG (CH) | 1998-10-28 | — | — | CN | disclosed |