Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.67 |
| ▸ | RAB9A | P51151 | 12/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.67 |
| ▸ | MAPT | P10636 | 7/20 | 0.67 |
| ▸ | TP53 | P04637 | 5/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.61 |
| ▸ | RELA | Q04206 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1251096 | 0.94 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1249937 | 0.86 | MAPT (0.60) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1608528 | 0.83 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1608448 | 0.81 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL12420362 | 0.79 | NPC1 (0.88) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL26093743 | 0.77 | RAB9A (0.79) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1250873 | 0.76 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL12692350 | 0.75 | NPC1 (0.86) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL16067423 | 0.75 | L3MBTL1 (0.72) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL8040085 | 0.74 | NPC1 (0.90) | NPC1RAB9ASMN1; SMN2MAPTTP53 |
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-20110081297-A1 | Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles | MERCK & CO. INC. | 2011-04-07 | — | — | US | claimed |
| US-20110081297-A1 | Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles | MERCK & CO. INC. | 2011-04-07 | — | — | US | disclosed |
| US-20110081297-A1 | Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles | MERCK & CO. INC. | 2011-04-07 | — | — | US | disclosed |
| US-20110081297-A1 | Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles | MERCK & CO. INC. | 2011-04-07 | — | — | US | disclosed |
| WO-2009146343-A1 | NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES | MERCK & CO., INC. (US) | 2009-12-03 | — | — | 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-20110081297-A1 | Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles | APP, PSEN1, BACE1 | NPC1 129/4885RAB9A 4026/4885SMN1; SMN2 2239/4885 |
“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.