Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGDS | O60760 | 2/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | ECE1 | P42892 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13680540 | 0.84 | DYRK1A (0.52) | ALDH1A1HPGDSCYP2E1CYP3A4CYP2A6 | |
| SCHEMBL6840352 | 0.79 | CYP3A4 (0.64) | ALDH1A1HPGDSCYP2E1CYP3A4CYP2A6 | |
| SCHEMBL13680478 | 0.78 | KDM4E (0.62) | ALDH1A1NPC1POLBRAB9AKDM4E | |
| SCHEMBL13680530 | 0.74 | CYP2A6 (0.54) | ALDH1A1CYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL13680949 | 0.74 | HPGDS (0.43) | ALDH1A1HPGDSKDM4E | |
| SCHEMBL13731115 | 0.74 | P4HTM (0.64) | ALDH1A1CYP3A4P4HA1MIFP4HTM | |
| SCHEMBL8198560 | 0.74 | CYP3A4 (0.60) | ALDH1A1CYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL2079765 | 0.74 | HPGDS (0.62) | ALDH1A1HPGDSKDM4E | |
| SCHEMBL31340947 | 0.73 | HPGDS (0.47) | ALDH1A1HPGDSECE1KDM4E | |
| SCHEMBL13680742 | 0.73 | CYP2E1 (0.45) | ALDH1A1HPGDSCYP2E1CYP3A4CYP2A6 |
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 |