Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 7/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | FPR3 | P25089 | 1/20 | 0.47 |
| ▸ | FPR2 | P25090 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15484596 | 0.86 | NR3C2 (0.56) | CYP2C9CYP2C19NTRK1KMT2APOLB | |
| SCHEMBL1013106 | 0.86 | CYP2C9 (0.54) | CYP2C9CYP2C19NTRK1LMNACYP2C18 | |
| SCHEMBL19732074 | 0.83 | TSHR (0.59) | CYP2C9NTRK1KMT2ATSHRFPR3 | |
| SCHEMBL28210807 | 0.83 | CYP2C9 (0.54) | CYP2C9CYP2C19NTRK1KMT2APOLB | |
| SCHEMBL11226458 | 0.82 | ALDH1A1 (0.59) | CYP2C9CYP2C19NTRK1KMT2APOLB | |
| SCHEMBL15015974 | 0.82 | GRM5 (0.62) | CYP2C9CYP2C19KMT2APOLBLMNA | |
| SCHEMBL13678562 | 0.81 | CYP2C9 (0.48) | CYP2C9CYP2C19NTRK1KMT2APOLB | |
| SCHEMBL15716523 | 0.79 | CYP1A2 (0.49) | CYP2C19POLBTSHRLMNACYP3A4 | |
| SCHEMBL7006506 | 0.77 | CYP2C9 (0.57) | CYP2C9CYP2C19NTRK1KMT2APOLB | |
| SCHEMBL11274691 | 0.77 | CYP2C9 (0.57) | CYP2C9CYP2C19NTRK1KMT2APOLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2604597-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A | TAKEDA PHARMACEUTICALS CO (JP) | 2017-01-04 | — | — | EP | disclosed |
| US-9150588-B2 | Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-06 | — | — | US | disclosed |
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| EP-2604597-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2013-06-19 | — | — | EP | disclosed |
| US-20130137675-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-30 | — | — | US | disclosed |
| WO-2010023480-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-03-04 | — | — | 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-20130137675-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | PDE3A, PDE2A, PDE5A | CYP2C9 487/4885CYP2C19 263/4885NTRK1 4614/4885 |
“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.