Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PGD | P52209 | 1/20 | 0.41 |
| ▸ | TET2 | Q6N021 | 6/20 | 0.40 |
| ▸ | KDM4A | O75164 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.40 |
| ▸ | TET3 | O43151 | 2/20 | 0.40 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL4995658 | 1.00 | TSHR (0.47) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL4995664 | 1.00 | TSHR (0.47) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL21067861 | 1.00 | TSHR (0.47) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL26138082 | 0.85 | TSHR (0.56) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL26138081 | 0.84 | PDE4A (0.50) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL26138103 | 0.82 | PDE4A (0.60) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL28778993 | 0.80 | TSHR (0.50) | TSHROR51E2SMN1; SMN2PDE4APGD | |
| SCHEMBL728172 | 0.78 | OR51E2 (0.59) | TSHROR51E2SMN1; SMN2TET2KDM4A | |
| SCHEMBL7856245 | 0.78 | OR51E2 (0.59) | TSHROR51E2SMN1; SMN2TET2KDM4A | |
| SCHEMBL19331462 | 0.78 | OR51E2 (0.59) | TSHROR51E2SMN1; SMN2TET2KDM4A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011017533-A1 | CRYSTALLINE SALTS OF METHYL 2- ( (R) - ( 3-CHLORO PHENYL) ( (R) -L- ( (S) -2- (METHYLAMINO) -3- ( (R) -TETRAHYDRO-2H-PYRAN-3-YL) PROPYLCARBAMOYL ) | VITAE PHARMACEUTICALS, INC. (US) | 2011-02-10 | — | — | WO | disclosed |