Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 2/20 | 0.44 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4456485 | 0.94 | AHR (0.67) | AHRTAAR1ESR2ALOX5MAOB | |
| SCHEMBL29776922 | 0.94 | AHR (0.67) | AHRTAAR1ESR2ALOX5MAOB | |
| SCHEMBL29493845 | 0.89 | AHR (0.74) | AHRESR2ALOX5CYP1B1CYP1A2 | |
| SCHEMBL1443418 | 0.89 | AHR (0.74) | AHRESR2ALOX5CYP1B1CYP1A2 | |
| SCHEMBL16394095 | 0.89 | TAAR1 (0.65) | TAAR1ESR2ALOX5MAOBCYP1A2 | |
| SCHEMBL22167038 | 0.87 | TAAR1 (0.63) | TAAR1ESR2ALOX5MAOBCYP1A2 | |
| SCHEMBL18371178 | 0.87 | TAAR1 (0.63) | TAAR1ESR2ALOX5MAOBCYP1A2 | |
| SCHEMBL17725876 | 0.87 | TAAR1 (0.63) | TAAR1ESR2ALOX5MAOBCYP1A2 | |
| Water SCHEMBL11023201 | 0.87 | AHR (0.70) | AHRESR2ALOX5CYP1B1CYP1A2 | |
| SCHEMBL29788033 | 0.87 | TAAR1 (0.61) | TAAR1ESR2ALOX5MAOBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5877389-A | Process for the oxidative decomposition of organic compounds present in aqueous effluents | ELF AQUITAINE (FR) | 1999-03-02 | — | — | US | disclosed |