Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4767600 | 1.00 | CES2 (0.43) | CES2CES1HCAR1CYP1A2CYP2C19 | |
| SCHEMBL23832290 | 0.81 | CYP1A2 (0.51) | CES2CES1CYP1A2CYP2C19AKR1C2 | |
| SCHEMBL2383937 | 0.81 | CES2 (0.39) | CES2CES1CYP1A2CYP2C19SLC6A3 | |
| SCHEMBL2383940 | 0.81 | CES2 (0.39) | CES2CES1CYP1A2CYP2C19SLC6A3 | |
| SCHEMBL8894640 | 0.80 | CES2 (0.50) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL4768159 | 0.76 | CES2 (0.50) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL4768154 | 0.76 | CES2 (0.50) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL25230247 | 0.75 | AKR1C1 (0.53) | CES2CES1AKR1C2ALDH1A1CA12 | |
| SCHEMBL11391873 | 0.75 | AKR1C1 (0.53) | CES2CES1AKR1C2ALDH1A1CA12 | |
| SCHEMBL25274689 | 0.75 | AKR1C1 (0.53) | CES2CES1AKR1C2ALDH1A1CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1556382-B1 | 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2008-05-28 | — | — | EP | disclosed |
| EP-1556382-A1 | 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004041817-A1 | 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2004-05-21 | — | — | WO | disclosed |