Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TET3 | O43151 | 1/20 | 0.41 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.41 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.41 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL378699 | 0.92 | OPRM1 (0.43) | SLC6A4SLC6A2OPRM1TSHRSMN1; SMN2 | |
| SCHEMBL4558685 | 0.85 | SLC6A2 (0.57) | SLC6A4SLC6A2OPRM1TSHRALDH1A1 | |
| SCHEMBL4560517 | 0.83 | SLC6A2 (0.54) | SLC6A4SLC6A2OPRM1TSHRALDH1A1 | |
| SCHEMBL4558508 | 0.81 | SLC6A2 (0.53) | SLC6A4SLC6A2OPRM1TSHRALDH1A1 | |
| SCHEMBL2468546 | 0.75 | APP (0.44) | OPRM1SMN1; SMN2OPRD1OPRK1KMT2A | |
| SCHEMBL2473051 | 0.75 | TSHR (0.49) | SLC6A4TSHRALDH1A1SMN1; SMN2OPRD1 | |
| SCHEMBL17275267 | 0.73 | HTT (0.54) | TSHRALDH1A1GLAKMT2AMEN1 | |
| SCHEMBL2472784 | 0.72 | TSHR (0.50) | SLC6A4OPRM1TSHROPRD1OPRK1 | |
| SCHEMBL5172596 | 0.70 | KMT2A (0.53) | SLC6A4OPRM1TSHRALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2236360 | 0.69 | ALDH1A1 (0.58) | SLC6A4SLC6A2TSHRALDH1A1GLA |
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-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |