Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7268425 | 0.74 | ALDH1A1 (0.39) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL30021580 | 0.72 | RAB9A (0.96) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL1238527 | 0.70 | RAB9A (1.00) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL30950703 | 0.70 | RAB9A (1.00) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL3344845 | 0.70 | KDM4E (0.55) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL7269678 | 0.68 | ALDH1A1 (0.48) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL19491827 | 0.65 | RAB9A (0.81) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL28162212 | 0.65 | RAB9A (0.75) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL5567841 | 0.64 | ALDH1A1 (0.46) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 | |
| SCHEMBL521943 | 0.64 | ALDH1A1 (0.62) | ALDH1A1RAB9AKDM4ENPC1HSD17B10 |
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-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | claimed |
| EP-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | disclosed |