Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | QPCT | Q16769 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3828382 | 0.90 | NOTUM (0.55) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL21590146 | 0.83 | NPC1 (0.51) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL5901252 | 0.83 | ALDH1A1 (0.62) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL13899158 | 0.83 | NOTUM (0.62) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL18528795 | 0.82 | NPC1 (0.69) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL2093817 | 0.80 | RAB9A (0.53) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL5754354 | 0.79 | KDM4E (0.71) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL6605684 | 0.78 | NPC1 (0.47) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL6605688 | 0.78 | NR1H4 (0.52) | NOTUMNPC1KDM4EPOLBALDH1A1 | |
| SCHEMBL3823171 | 0.77 | NOTUM (0.68) | NOTUMNPC1KDM4EPOLBALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | claimed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | claimed |
| EP-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | 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-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | PYGL, GYS2, G6PC1 | NOTUM 298/4885NPC1 2552/4885KDM4E 1955/4885 |
“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.