Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | HPGD | P15428 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.36 |
| ▸ | GLA | P06280 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | BCL2 | P10415 | 2/20 | 0.33 |
| ▸ | BECN1 | Q14457 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL980716 | 0.85 | ALDH1A1 (0.39) | ALDH1A1HPGDSMN1; SMN2RAB9A | |
| SCHEMBL980252 | 0.85 | PGR (0.39) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL979414 | 0.85 | MAOB (0.39) | ALDH1A1HPGDSMN1; SMN2RAB9ANPSR1 | |
| SCHEMBL984417 | 0.84 | L3MBTL1 (0.40) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL17004410 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HPGDSMN1; SMN2RAB9A | |
| SCHEMBL980472 | 0.80 | MAOB (0.53) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL981836 | 0.78 | MAOB (0.43) | ALDH1A1HPGDSMN1; SMN2RAB9AGAA | |
| SCHEMBL979450 | 0.78 | PGR (0.38) | ALDH1A1HPGDSMN1; SMN2RAB9APKM | |
| SCHEMBL17004385 | 0.78 | SMN1; SMN2 (0.34) | ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL979927 | 0.77 | MAOA (0.31) | — |
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-1917248-B1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-19 | — | — | EP | claimed |
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | claimed |
| US-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-10-09 | — | — | US | claimed |
| EP-1917248-B1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-19 | — | — | 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-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MET, FLT3, ERBB3 | ALDH1A1 399/4885HPGD 2204/4885SMN1; SMN2 4245/4885 |
“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.