Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | MGLL | Q99685 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PDE6A | P16499 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3377738 | 0.90 | TSHR (0.51) | TSHRMGLLCYP2C19ALDH1A1AOC3 | |
| SCHEMBL3370173 | 0.87 | TSHR (0.41) | TSHRMGLLCYP2C19ALDH1A1AOC3 | |
| SCHEMBL3374636 | 0.85 | NR1H2 (0.43) | TSHRMGLLCYP2C19ALDH1A1KMT2A | |
| SCHEMBL3374538 | 0.82 | ALDH1A1 (0.44) | TSHRMGLLALDH1A1CA2AOC3 | |
| SCHEMBL3373133 | 0.70 | TSHR (0.47) | TSHRMGLLCYP2C19ALDH1A1CA2 | |
| SCHEMBL3376961 | 0.69 | TSHR (0.50) | TSHRMGLLCYP2C19ALDH1A1CA2 | |
| SCHEMBL23064545 | 0.68 | TSHR (0.45) | TSHRMGLLCYP2C19ALDH1A1CA2 | |
| SCHEMBL3370244 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL21295440 | 0.67 | CALM1 (0.44) | ALDH1A1NAMPTCYP2D6HPGD | |
| Benzyl Alcohol SCHEMBL8433166 | 0.66 | TSHR (0.50) | TSHRCYP2C19ALDH1A1NAMPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100324091-A1 | Pyrazolone Derivative | SERPINE1, SERPINC1, TFPI | TSHR 1622/4885MGLL 4367/4885CYP2C19 1060/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.