Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.45 |
| ▸ | ALB | P02768 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16508372 | 0.82 | PTGS2 (0.63) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| Methyl Alcohol SCHEMBL28147253 | 0.80 | NPSR1 (0.58) | ALOX5TSHRPMP22BLMNPSR1 | |
| SCHEMBL28148401 | 0.80 | NPSR1 (0.64) | ALOX5TSHRPMP22BLMNPSR1 | |
| SCHEMBL75885 | 0.80 | NPSR1 (0.64) | ALOX5TSHRPMP22BLMNPSR1 | |
| SCHEMBL75883 | 0.80 | NPSR1 (0.64) | ALOX5TSHRPMP22BLMNPSR1 | |
| Acetic Acid SCHEMBL28331100 | 0.78 | NPSR1 (0.56) | ALOX5TSHRPMP22BLMNPSR1 | |
| Urea SCHEMBL23005263 | 0.78 | NPSR1 (0.61) | ALOX5TSHRPMP22BLMNPSR1 | |
| Hydrogen Sulfide SCHEMBL28272945 | 0.78 | NPSR1 (0.61) | ALOX5TSHRPMP22BLMNPSR1 | |
| Water SCHEMBL27782253 | 0.78 | NPSR1 (0.61) | ALOX5TSHRPMP22BLMNPSR1 | |
| SCHEMBL28023499 | 0.78 | NPSR1 (0.61) | ALOX5TSHRPMP22BLMNPSR1 |
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-1042279-B1 | SUBSTITUTED BETA-ALANINES | AVENTIS PHARMA LTD (GB) | 2005-03-02 | — | — | EP | disclosed |
| US-6352977-B1 | ALANINE WITH PRODRUGS | AVENTIS PHARMA LIMITED (GB) | 2002-03-05 | — | — | US | disclosed |
| EP-1042279-A1 | SUBSTITUTED BETA-ALANINES | Aventis Pharma Limited (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033789-A1 | SUBSTITUTED β-ALANINES | AVENTIS PHARMA LIMITED (GB) | 1999-07-08 | — | — | WO | disclosed |