Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247967 | 0.86 | CYP2C9 (0.56) | ALDH1A1TSHRCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4158179 | 0.85 | MEN1 (0.50) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL11240588 | 0.83 | KDM4E (0.50) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL6123566 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL11248894 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL11243796 | 0.81 | PDE4D (0.63) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL1195159 | 0.80 | CYP2C9 (0.62) | ALDH1A1TSHRCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11245609 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL11242309 | 0.79 | SLC2A2 (0.51) | ALDH1A1KDM4EHSD17B10TSHRL3MBTL1 | |
| SCHEMBL11242627 | 0.78 | CYP1A2 (0.52) | ALDH1A1KDM4ECYP2C9CYP2C19NPSR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960413-B2 | Pyrazole compounds | MERCK PATENT GMBH (DE) | 2011-06-14 | — | — | US | disclosed |
| EP-1611094-B1 | PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-20 | — | — | EP | disclosed |
| US-20060276650-A1 | Pyrazole compounds | MERCK PATENT GMBH (DE) | 2006-12-07 | — | — | US | disclosed |
| EP-1611094-A1 | PYRAZOLE COMPOUNDS | MERCK PATENT GmbH (DE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004089888-A1 | PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |
| US-4325962-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS | BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4146721-A | ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1979-03-27 | — | — | 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-20060276650-A1 | Pyrazole compounds | HTR1D, HTR1A, HTR3A | ALDH1A1 1220/4885KDM4E 3986/4885HSD17B10 3259/4885 |
“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.