Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 5/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6351596 | 0.88 | ALDH1A1 (0.63) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL6340224 | 0.87 | KMT2A (0.62) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL10556383 | 0.76 | HPGD (0.63) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL1335629 | 0.76 | NPC1 (1.00) | ALDH1A1KDM4EMAPTHPGDHTT | |
| SCHEMBL6342455 | 0.75 | KDM4E (0.53) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL17175815 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL6345704 | 0.74 | HPGD (0.64) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL4700330 | 0.74 | HPGD (0.60) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL6290087 | 0.73 | NR3C1 (0.61) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL7479238 | 0.73 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTHPGDGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6949648-B2 | Condensed pyrazole derivatives, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-09-27 | — | — | US | disclosed |
| US-20030187014-A1 | Condensed pyrazole derivatives, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-10-02 | — | — | US | disclosed |
| EP-1270572-A1 | CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-01-02 | — | — | 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-20030187014-A1 | Condensed pyrazole derivatives, process for producing the same and use thereof | PTGS1, PTGIS, IL5 | ALDH1A1 1061/4885KDM4E 1741/4885MAPT 3408/4885 |
“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.