Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | FABP7 | O15540 | 1/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27877768 | 0.99 | TSHR (0.51) | TSHRGLAHTR2CFABP7FABP5 | |
| SCHEMBL6631309 | 0.92 | TSHR (0.47) | TSHRGLAHTR2CFABP7FABP5 | |
| SCHEMBL988117 | 0.81 | TSHR (0.51) | TSHRFABP7FABP5FKBP1AALDH1A1 | |
| SCHEMBL1666324 | 0.78 | CYP3A4 (0.52) | TSHRFABP7FABP5FKBP1AALDH1A1 | |
| SCHEMBL606466 | 0.78 | TSHR (0.55) | TSHRHTR2CFABP7FABP5ALDH1A1 | |
| SCHEMBL19815901 | 0.78 | HTR2C (0.46) | TSHRGLAHTR2CFABP7FABP5 | |
| SCHEMBL2128136 | 0.77 | MCL1 (0.56) | TSHRFABP7FABP5FKBP1AALDH1A1 | |
| SCHEMBL5319406 | 0.77 | MCL1 (0.56) | TSHRFABP7FABP5FKBP1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL3494457 | 0.77 | TSHR (0.57) | TSHRHTR2CFABP7FABP5ALDH1A1 | |
| SCHEMBL2300592 | 0.76 | ALDH1A1 (0.46) | TSHRALDH1A1 |
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-2391615-A1 | Piperidine derivatives as nk3 receptor antagonists | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086259-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-05 | — | — | WO | disclosed |