Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2919412 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL18353617 | 0.87 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL2918377 | 0.86 | CNR1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL16876827 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL29838942 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL16883790 | 0.79 | NPC1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL4158179 | 0.78 | MEN1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL2918809 | 0.77 | ALDH1A1 (0.70) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL16876864 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL4161662 | 0.77 | MEN1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1591443-B1 | PYRAZOLE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | 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-20060128685-A1 | Pyrazole derivative | PTGS1, PTGS2, PTGER1 | ALDH1A1 139/4885CYP3A4 380/4885CYP2C9 251/4885 |
“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.