Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17917704 | 0.86 | PYCR1 (0.55) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26677103 | 0.78 | PYCR1 (0.65) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13965841 | 0.76 | PYCR1 (0.51) | PYCR1SLC6A2SLC6A4SLC6A3HTT | |
| SCHEMBL9917316 | 0.75 | IDO1 (0.50) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16553471 | 0.75 | PYCR1 (0.61) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2655848 | 0.73 | PYCR1 (0.59) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8648703 | 0.73 | PYCR1 (0.59) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6886022 | 0.71 | GGPS1 (0.55) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20103937 | 0.71 | CYP1A2 (0.53) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4365623 | 0.70 | PYCR1 (0.56) | PYCR1CYP3A4CYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7196106-B2 | Cyanothiophene derivatives, compositions containing such compounds and methods of use | MERCK & CO., INC (US) | 2007-03-27 | — | — | US | disclosed |
| US-20040097552-A1 | Cyanothiophene derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. | 2004-05-20 | — | — | 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 (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-20040097552-A1 | Cyanothiophene derivatives, compositions containing such compounds and methods of use | GLP1R, GPR119, GCGR | PYCR1 100/4885CYP3A4 1502/4885CYP1A2 1399/4885 |
“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.