Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598053 | 0.77 | ADRB1 (0.44) | HTTTP53RAB9AALDH1A1KDM4E | |
| SCHEMBL44773 | 0.71 | TP53 (0.48) | TP53NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL980172 | 0.68 | TP53 (0.42) | GAATP53NPC1RAB9AALDH1A1 | |
| SCHEMBL20705052 | 0.68 | GAA (0.39) | GAAHTTNPC1RAB9AIDO1 | |
| SCHEMBL4948591 | 0.68 | IDO1 (0.41) | GAAHTTNPC1RAB9AIDO1 | |
| SCHEMBL4019882 | 0.68 | GAA (0.70) | GAAHTTNPC1RAB9AALDH1A1 | |
| SCHEMBL11120307 | 0.68 | GAA (0.70) | GAAHTTNPC1RAB9AALDH1A1 | |
| SCHEMBL7787172 | 0.65 | PLD1 (0.46) | TP53ALDH1A1HPGDHSD17B10CYP2D6 | |
| SCHEMBL3043141 | 0.64 | GAA (0.60) | GAAHTTNPC1RAB9AALDH1A1 | |
| SCHEMBL1010647 | 0.64 | GAA (0.60) | GAAHTTNPC1RAB9AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |
| US-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-10-09 | — | — | 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-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MET, FLT3, ERBB3 | GAA 2975/4885HTT 3262/4885TP53 295/4885 |
“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.