Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | TTPA | P49638 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 10/20 | 0.42 |
| ▸ | BCHE | P06276 | 9/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15820150 | 0.86 | PTGS1 (0.72) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL20764606 | 0.83 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL17289287 | 0.82 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059506 | 0.82 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL23496435 | 0.81 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059478 | 0.80 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15821003 | 0.79 | PTGS1 (0.74) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15820288 | 0.79 | PTGS1 (0.74) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15820289 | 0.79 | PTGS1 (0.74) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL18934019 | 0.79 | PTGS1 (0.74) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220030-A2 | 4- (P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES | Edison Pharmaceuticals, Inc. (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009061744-A2 | 4- (P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES | EDISON PHARMACEUTICALS, INC. (US) | 2009-05-14 | — | — | WO | disclosed |