Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.63 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17157870 | 1.00 | HSD17B3 (0.63) | HSD17B3SLC6A19CYP2D6CYP1B1PKM | |
| SCHEMBL481195 | 0.87 | HSD17B3 (0.67) | HSD17B3SLC6A19CYP2D6CYP1B1PKM | |
| SCHEMBL16899699 | 0.87 | HSD17B3 (0.67) | HSD17B3SLC6A19CYP2D6CYP1B1PKM | |
| SCHEMBL6318820 | 0.81 | MAOB (0.62) | CYP2D6CYP1B1MAOBMAOANPC1 | |
| SCHEMBL5677002 | 0.81 | NFE2L2 (0.52) | MAOBMAOAMEN1KMT2ANPC1 | |
| SCHEMBL1225056 | 0.81 | CYP1A2 (0.63) | CYP2D6CYP1B1MAOBMAOAMEN1 | |
| SCHEMBL6320363 | 0.81 | MAOB (0.62) | CYP2D6CYP1B1MAOBMAOANPC1 | |
| SCHEMBL5676995 | 0.81 | NFE2L2 (0.52) | MAOBMAOAMEN1KMT2ANPC1 | |
| SCHEMBL1225052 | 0.81 | CYP1A2 (0.63) | CYP2D6CYP1B1MAOBMAOAMEN1 | |
| SCHEMBL322249 | 0.81 | HSD17B3 (0.67) | HSD17B3SLC6A19CYP2D6CYP1B1PKM |
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-9376420-B2 | 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same | YUHAN CORPORATION (KR) | 2016-06-28 | — | — | US | disclosed |
| US-20150291563-A1 | 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | YUHAN CORPORATION (KR) | 2015-10-15 | — | — | 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-20150291563-A1 | 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | NR1H3, NR1H2, NR1H4 | HSD17B3 67/4885SLC6A19 2928/4885CYP2D6 439/4885 |
“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.