Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | OXTR | P30559 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17298797 | 0.82 | CYP1A2 (0.48) | ARKCNH2HDAC1HDAC8HDAC6 | |
| SCHEMBL14938123 | 0.79 | TAAR1 (0.44) | HDAC1HDAC8HDAC6HMOX1OXTR | |
| SCHEMBL14937426 | 0.74 | DAO (0.44) | HDAC1HDAC8HDAC6CYP1A2OXTR | |
| SCHEMBL14938133 | 0.74 | NOS1 (0.44) | NOS1LTA4HDRD2DRD1DRD3 | |
| SCHEMBL31425748 | 0.71 | CYP1A2 (0.38) | ARKCNH2HDAC1HDAC8HDAC6 | |
| SCHEMBL2265322 | 0.71 | KCNH2 (0.53) | ARKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14937943 | 0.71 | KDM4C (0.50) | CYP3A4CYP2C19DRD3OXTRAVPR1A | |
| SCHEMBL14938259 | 0.70 | HDAC1 (0.49) | HDAC1HDAC8HDAC6OXTRAVPR1A | |
| SCHEMBL16774590 | 0.70 | CYP1A2 (0.58) | KCNH2LTA4HCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14938195 | 0.70 | OXTR (0.41) | NOS1KCNH2HDAC1HDAC8HDAC6 |
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-8642626-B2 | Ethinyl-pyrazole derivative | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2014-02-04 | — | — | US | disclosed |
| EP-2604602-A1 | HETEROARYL-PYRAZOLE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| EP-2599775-A1 | ETHINYL-PYRAZOLE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-20130137865-A1 | HETEROARYL-PYRAZOLE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2013-05-30 | — | — | US | disclosed |
| US-20130123500-A1 | ETHINYL-PYRAZOLE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2013-05-16 | — | — | 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 (2 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-20130137865-A1 | HETEROARYL-PYRAZOLE DERIVATIVE | GRIN2C, GRIN2B, GRIN3A | NOS1 3794/4885AR 2251/4885KCNH2 1221/4885 |
| US-20130123500-A1 | ETHINYL-PYRAZOLE DERIVATIVE | GABRE, GRIN3A, GRIK5 | NOS1 3678/4885AR 2655/4885KCNH2 1681/4885 |
“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.