Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 5/20 | 0.35 |
| ▸ | BRD2 | P25440 | 2/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.34 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CCL2 | P13500 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7444167 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL8804220 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7441237 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7442622 | 0.76 | SMN1; SMN2 (0.40) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7449927 | 0.75 | SMN1; SMN2 (0.43) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7493819 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7442181 | 0.74 | ALDH1A1 (0.42) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7447285 | 0.74 | RAB9A (0.42) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL7436869 | 0.74 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL8804534 | 0.73 | KDM4E (0.41) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0546102-B1 | TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES | UPJOHN CO (US) | 1997-10-15 | — | — | EP | claimed |