Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13680457 | 0.81 | MAPT (0.49) | MAPTNPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL13680514 | 0.76 | TRPV4 (0.43) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL13680485 | 0.76 | PRMT1 (0.51) | TSHRP2RX3SCN10APRMT1GSK3B | |
| SCHEMBL13680455 | 0.74 | CYP2A6 (0.45) | CYP3A4CYP2C19MAPTKDM4ENPC1 | |
| SCHEMBL13680901 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL13680469 | 0.73 | NPC1 (0.42) | MAPTKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL7996271 | 0.71 | CCR1 (0.43) | MAPTKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL13680445 | 0.70 | HSD17B1 (0.46) | SCN10AEGFRFGFR1 | |
| SCHEMBL13680715 | 0.69 | TDP1 (0.42) | MAPTKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL9156095 | 0.69 | KDR (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19SCN10A |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |