Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 12/20 | 0.39 |
| ▸ | ADH1C | P00326 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL3188337 | 0.87 | CYP1A2 (0.46) | ADH1ACYP1A2ADH1CSPHK1SIGMAR1 | |
| Pentane SCHEMBL2360777 | 0.87 | CYP1A2 (0.46) | ADH1ACYP1A2ADH1CSPHK1SIGMAR1 | |
| SCHEMBL6296438 | 0.84 | ADH1A (0.35) | ADH1ACYP1A2BCHEADH1CACHE | |
| Butane SCHEMBL3375927 | 0.82 | ADH1A (0.45) | ADH1ACYP1A2ADH1CSPHK1SIGMAR1 | |
| Butane SCHEMBL3189701 | 0.82 | ADH1A (0.45) | ADH1ACYP1A2ADH1CSPHK1SIGMAR1 | |
| SCHEMBL29008443 | 0.79 | ADH1A (0.41) | ADH1ACYP1A2BCHEADH1CSIGMAR1 | |
| SCHEMBL14159145 | 0.78 | ADH1A (0.44) | ADH1ACYP1A2ADH1CSIGMAR1 | |
| SCHEMBL5253542 | 0.78 | ADH1A (0.44) | ADH1ACYP1A2ADH1CSIGMAR1 | |
| SCHEMBL9634500 | 0.78 | ADH1A (0.45) | ADH1ACYP1A2ADH1C | |
| SCHEMBL10361823 | 0.77 | THRA (0.39) | ADH1AADH1CSPHK1SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6239213-B1 | FROM AN ISOCYNATE TERMINATED CARBOXYL GROUP CONTAINING PREPOLYMER | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2001-05-29 | — | — | US | claimed |
| US-7592453-B2 | Fused quinoline derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-22 | — | — | US | disclosed |
| US-20080039452-A1 | Fused Quinoline Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-14 | — | — | 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-20080039452-A1 | Fused Quinoline Derivative and Use Thereof | TACR2, HRH3, HRH2 | ADH1A 2718/4885CYP1A2 1194/4885BCHE 2692/4885 |
“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.