Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | CASP1 | P29466 | 6/20 | 0.36 |
| ▸ | CASP7 | P55210 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5134599 | 0.79 | MKNK1 (0.40) | CYP1A2CYP2C9ALDH1A1CASP1CASP7 | |
| SCHEMBL4903517 | 0.75 | PDE5A (0.55) | CASRALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL5134598 | 0.72 | TRPV1 (0.39) | PDE5ACLK4 | |
| SCHEMBL29655227 | 0.69 | PDE10A (0.56) | PDE10ACASRCYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL5133805 | 0.68 | DRD1 (0.45) | CYP2D6PDE5AKDM4E | |
| SCHEMBL3122462 | 0.66 | PDE5A (0.36) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12890064 | 0.65 | CASR (0.63) | PDE10ACASRCYP2C9HSD17B10CYP3A4 | |
| SCHEMBL27603005 | 0.64 | HDAC3 (0.57) | PDE10ACASRCYP2C9HSD17B10TSHR | |
| SCHEMBL12375939 | 0.63 | CASR (0.55) | PDE10ACASRCYP2C9HSD17B10CYP3A4 | |
| SCHEMBL27603032 | 0.63 | HDAC3 (0.59) | PDE10ACASRCYP2C9HSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008071650-A2 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-06-19 | — | — | WO | claimed |
| WO-2008071650-A2 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-06-19 | — | — | WO | disclosed |