Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247967 | 0.82 | CYP2C9 (0.56) | CYP2C9CYP2C19CYP1A2NPC1RAB9A | |
| SCHEMBL1997120 | 0.77 | ALDH1A1 (0.53) | CYP2C9CYP2C19CYP1A2HSD17B10KMT2A | |
| SCHEMBL1195159 | 0.75 | CYP2C9 (0.62) | CYP2C9CYP2C19CYP1A2NPC1RAB9A | |
| SCHEMBL11242627 | 0.73 | CYP1A2 (0.52) | CYP2C9CYP2C19CYP1A2NPC1RAB9A | |
| SCHEMBL5209503 | 0.72 | ALDH1A1 (0.43) | CYP2C9CYP2C19CYP1A2NPC1RAB9A | |
| SCHEMBL8512906 | 0.71 | NPC1 (0.62) | NPC1RAB9AKMT2ATSHRMEN1 | |
| SCHEMBL5206995 | 0.71 | SMO (0.58) | KMT2ANPSR1LMNAALDH1A1MEN1 | |
| SCHEMBL6098575 | 0.70 | CYP1A2 (0.53) | CYP1A2NPC1RAB9ATP53MAPT | |
| SCHEMBL11252577 | 0.70 | CYP1A2 (0.52) | CYP2C9CYP2C19CYP1A2NPC1RAB9A | |
| SCHEMBL14495717 | 0.70 | CYP2C19 (0.64) | CYP2C9CYP2C19CYP1A2NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960413-B2 | Pyrazole compounds | MERCK PATENT GMBH (DE) | 2011-06-14 | — | — | US | disclosed |
| EP-1611094-B1 | PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-20 | — | — | EP | disclosed |
| US-20060276650-A1 | Pyrazole compounds | MERCK PATENT GMBH (DE) | 2006-12-07 | — | — | US | disclosed |
| EP-1611094-A1 | PYRAZOLE COMPOUNDS | MERCK PATENT GmbH (DE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004089888-A1 | PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | 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-20060276650-A1 | Pyrazole compounds | HTR1D, HTR1A, HTR3A | CYP2C9 319/4885CYP2C19 189/4885CYP1A2 264/4885 |
“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.