Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CHRND | Q07001 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14844943 | 0.86 | SMN1; SMN2 (0.40) | RAB9ANPC1KMT2AKCNQ3KCNQ2 | |
| SCHEMBL14844948 | 0.81 | NPC1 (0.58) | CES2CES1RAB9ANPC1KMT2A | |
| SCHEMBL3227181 | 0.78 | ERCC5 (0.53) | CES2CES1RAB9ANPC1KMT2A | |
| SCHEMBL14845018 | 0.77 | NPC1 (0.56) | CES2CES1RAB9ANPC1KMT2A | |
| SCHEMBL2582326 | 0.75 | CES1 (0.57) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL30255233 | 0.75 | CES2 (0.61) | CES2CES1DRD2CHRNA1CHRNG | |
| SCHEMBL2273688 | 0.75 | CES2 (0.61) | CES2CES1DRD2CHRNA1CHRNG | |
| SCHEMBL4446369 | 0.74 | CES2 (0.47) | CES2CES1DRD2RAB9ANPC1 | |
| SCHEMBL23709229 | 0.74 | CES2 (0.55) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL9180801 | 0.74 | TDP1 (0.59) | CES1RAB9ANPC1KMT2AHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2763993-B1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | BAYER IP GMBH (DE) | 2017-04-19 | — | — | EP | disclosed |
| US-9314026-B2 | Heterocyclylpyri(mi)dinylpyrazole | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-04-19 | — | — | US | disclosed |
| US-20140364456-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-12-11 | — | — | US | disclosed |
| EP-2763993-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | Bayer Intellectual Property GmbH (DE) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050434-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-11 | — | — | 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-20140364456-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | H1-0, NQO2, CCNI | CES2 3980/4885CES1 3097/4885DRD2 664/4885 |
“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.