Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 7/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | P4HB | P07237 | 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 | |
|---|---|---|---|---|
| SCHEMBL31227427 | 1.00 | S1PR3 (0.41) | S1PR3S1PR1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL22501675 | 0.85 | GRM4 (0.44) | S1PR3S1PR1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL108705 | 0.83 | ALDH1A1 (0.48) | S1PR3S1PR1ALDH1A1HPGD | |
| SCHEMBL13082394 | 0.82 | ALDH1A1 (0.43) | S1PR3S1PR1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL30950126 | 0.82 | ALDH1A1 (0.43) | S1PR3S1PR1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL842203 | 0.81 | CYP11B1 (0.42) | S1PR3S1PR1BLMALDH1A1HPGD | |
| SCHEMBL1275282 | 0.78 | S1PR3 (0.54) | S1PR3S1PR1 | |
| SCHEMBL1274914 | 0.78 | KCNQ3 (0.55) | S1PR3S1PR1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL20787536 | 0.77 | HDAC8 (0.47) | S1PR3S1PR1HPGD | |
| SCHEMBL21125466 | 0.77 | HPGD (0.54) | CES2CES1ALDH1A1HPGD |
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-20080119457-A1 | Benzene, Pyridine, and Pyridazine Derivatives | SERENEX, INC. | 2008-05-22 | — | — | US | disclosed |
| US-20080119457-A1 | Benzene, Pyridine, and Pyridazine Derivatives | SERENEX, INC. | 2008-05-22 | — | — | US | disclosed |
| US-20080119457-A1 | Benzene, Pyridine, and Pyridazine Derivatives | SERENEX, INC. | 2008-05-22 | — | — | US | disclosed |
| WO-2008024978-A2 | TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES | SERENEX, INC. (US) | 2008-02-28 | — | — | WO | disclosed |
| WO-2008024978-A2 | TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES | SERENEX, INC. (US) | 2008-02-28 | — | — | 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-20080119457-A1 | Benzene, Pyridine, and Pyridazine Derivatives | MKI67, CCNB1, RB1 | S1PR3 1022/4885S1PR1 947/4885KCNQ3 830/4885 |
“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.