Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4443384 | 0.87 | HTT (0.42) | RAB9AKDM4ENPC1ALDH1A1GAA | |
| SCHEMBL7604984 | 0.83 | PDE5A (0.42) | PDE5APDE3BPDE3ARAB9AHPGDS | |
| SCHEMBL15779014 | 0.76 | HCAR2 (0.43) | RAB9APDE10AADORA3MAPK1MAP2K4 | |
| SCHEMBL2374112 | 0.74 | PDE5A (0.46) | PDE5APDE3BPDE3ARAB9AHPGDS | |
| SCHEMBL5063091 | 0.74 | ALDH1A1 (0.46) | RAB9AHPGDSHPGDKDM4EATM | |
| SCHEMBL7514038 | 0.71 | ABCC8 (0.54) | RAB9AHPGDKDM4EATMNPSR1 | |
| SCHEMBL15779576 | 0.70 | MAP2K4 (0.48) | RAB9ANPC1SMN1; SMN2ADORA3LMNA | |
| SCHEMBL4382163 | 0.67 | RAB9A (0.49) | RAB9AHPGDSPDE10AHPGDKDM4E | |
| SCHEMBL17739710 | 0.67 | GPR84 (0.41) | PDE5APDE3BPDE3ARAB9AHPGDS | |
| SCHEMBL28330637 | 0.67 | MAPK14 (0.53) | PDE5APDE3BPDE3ARAB9AHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |