Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24925656 | 0.87 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP2C9CYP2C19CA12 | |
| SCHEMBL11530672 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP2C9CYP2C19CA12 | |
| SCHEMBL31140705 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10NPC1RAB9A | |
| SCHEMBL25239216 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10NPC1RAB9A | |
| SCHEMBL6982188 | 0.79 | ALDH1A1 (0.61) | KDM5BKDM5AKDM5CALDH1A1MAPT | |
| SCHEMBL31141612 | 0.79 | RAB9A (0.42) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL25284311 | 0.78 | KDM4E (0.49) | ALDH1A1HSD17B10NPC1RAB9ACYP1A2 | |
| SCHEMBL24218501 | 0.77 | LMNA (0.42) | ALDH1A1MAPTHSD17B10NPC1RAB9A | |
| SCHEMBL24925660 | 0.77 | CKS1B (0.48) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL6982223 | 0.75 | CYP1A2 (0.50) | KDM5BKDM5AKDM5CKDM4CALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | claimed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | claimed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | claimed |
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | disclosed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | disclosed |