Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | BRD2 | P25440 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3823273 | 0.83 | CCNC (0.38) | ALDH1A1PKMKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL3829385 | 0.82 | POLB (0.51) | ALDH1A1POLBTSHRNPC1L3MBTL1 | |
| SCHEMBL14840641 | 0.82 | ALDH1A1 (0.60) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL31526330 | 0.80 | ALDH1A1 (0.57) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL4031918 | 0.78 | ALDH1A1 (0.65) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL6166566 | 0.77 | ALDH1A1 (0.59) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL8243211 | 0.76 | ALDH1A1 (0.64) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL31526126 | 0.76 | ALDH1A1 (0.59) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL31526251 | 0.75 | ALDH1A1 (0.61) | ALDH1A1PKMKDM4EPOLBHPGD | |
| SCHEMBL15897236 | 0.75 | ALDH1A1 (0.57) | ALDH1A1PKMKDM4EPOLBHPGD |
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 4 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 | 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 | ALDH1A1 775/4885PKM 89/4885KDM4E 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.