Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | FOS | P01100 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1494089 | 0.90 | HTR2A (0.44) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL5525796 | 0.84 | HTR2A (0.41) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL5782581 | 0.81 | HTR2A (0.40) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL16918764 | 0.75 | KDM4E (0.50) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL5567608 | 0.74 | KMT2A (0.42) | RAB9ACYP2D6CYP2C19MAPTMEN1 | |
| SCHEMBL20910420 | 0.73 | CYP2D6 (0.68) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL18065576 | 0.71 | POLB (0.45) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL1494085 | 0.70 | KDM4E (0.48) | ALOX15CYP3A4KDM4EGAATSHR | |
| Mesodihydroguaiaretic Acid SCHEMBL4852003 | 0.70 | FOS (0.84) | ALOX15CYP3A4KDM4EGAATSHR | |
| SCHEMBL1494045 | 0.69 | ALDH1A1 (0.45) | ALOX15CYP3A4KDM4EGAATSHR |
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-8008313-B2 | Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases | ROCHE PALO ALTO LLC (US) | 2011-08-30 | — | — | US | disclosed |