Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 3/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12608894 | 0.90 | MT-CO2 (0.60) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL12608897 | 0.79 | MT-CO2 (0.61) | MT-CO2PTGS1PTGS2MEN1LMNA | |
| SCHEMBL3805715 | 0.77 | MT-CO2 (0.59) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL9262003 | 0.76 | PTGS2 (0.69) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL10310896 | 0.76 | MT-CO2 (0.58) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL9736935 | 0.75 | PTGS2 (0.71) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| Acetic Acid SCHEMBL28346642 | 0.74 | MT-CO2 (0.56) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL24172126 | 0.74 | PTGS2 (0.70) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL28292519 | 0.72 | PTGS1 (1.00) | PTGS1PTGS2MEN1KMT2A | |
| Mefenamic Acid SCHEMBL29465887 | 0.72 | PTGS2 (1.00) | MT-CO2PTGS1PTGS2MEN1AKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124371-A9 | NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE | EMS S. A. (BR) | 2010-12-02 | — | — | WO | disclosed |