Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.55 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3822883 | 0.83 | RIPK2 (0.46) | RIPK2PARP1SLC9A1RXRARXRB | |
| SCHEMBL3826031 | 0.81 | SLC9A1 (0.44) | PARP1SLC9A1ALDH1A1KDM4EADORA1 | |
| SCHEMBL5008392 | 0.80 | KDM4E (0.58) | IKBKBALDH1A1KDM4EHSD17B10LMNA | |
| SCHEMBL3822654 | 0.77 | KDM4E (0.55) | IKBKBRXRARXRBALDH1A1KDM4E | |
| SCHEMBL3824657 | 0.76 | DPP4 (0.51) | IKBKBALDH1A1HPGDKDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL3825192 | 0.75 | DPP4 (0.50) | IKBKBALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL3823644 | 0.74 | IKBKB (0.49) | IKBKBPARP1RXRARXRBALDH1A1 | |
| SCHEMBL1167406 | 0.72 | PIN1 (0.57) | IKBKBRXRARXRBPIN1ALDH1A1 | |
| SCHEMBL13312255 | 0.72 | SMN1; SMN2 (0.47) | IKBKBRXRARXRBALDH1A1HPGD | |
| SCHEMBL3826511 | 0.72 | IKBKB (0.47) | IKBKBALDH1A1KDM4EHSD17B10LMNA |
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 3 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 |
| 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 | IKBKB 1573/4885RIPK2 2526/4885PARP1 2289/4885 |
“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.