Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2827056 | 0.98 | CHRM2 (0.38) | TSHRMAPTCHRM2ALDH1A1HPGD | |
| SCHEMBL3456909 | 0.86 | CHRM2 (0.46) | TSHRMAPTCHRM2ALDH1A1HPGD | |
| SCHEMBL14040492 | 0.86 | CHRM2 (0.46) | TSHRMAPTCHRM2ALDH1A1HPGD | |
| SCHEMBL2478663 | 0.84 | — | — | |
| SCHEMBL4640467 | 0.84 | TSHR (0.46) | TSHRMAPTCHRM2ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL9547197 | 0.82 | ALDH1A1 (0.41) | TSHRMAPTALDH1A1HPGD | |
| SCHEMBL18281275 | 0.81 | TSHR (0.48) | TSHRMAPTCHRM2ALDH1A1HPGD | |
| SCHEMBL16892353 | 0.79 | CHRM2 (0.42) | TSHRMAPTCHRM2ALDH1A1HPGD | |
| SCHEMBL21077931 | 0.78 | TSHR (0.48) | TSHRCHRM2 | |
| SCHEMBL15233375 | 0.78 | CHRM2 (0.52) | TSHRMAPTCHRM2ALDH1A1 |
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-2010069504-A1 | (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS | ALMIRALL, S.A. (ES) | 2010-06-24 | — | — | WO | disclosed |
| EP-2196465-A1 | (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors | Almirall, S.A. (ES) | 2010-06-16 | — | — | EP | disclosed |