Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.41 |
| ▸ | KDM6B | O15054 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6627674 | 0.88 | PTGDR2 (0.42) | ALDH1A1LMNAHTTKDM4CKDM6B | |
| SCHEMBL3821293 | 0.82 | TDP1 (0.41) | ALDH1A1LMNAKDM4CKDM6BTDP1 | |
| SCHEMBL4974313 | 0.80 | SIRT3 (0.59) | ALDH1A1LMNAKDM4CKDM6BTDP1 | |
| SCHEMBL3818724 | 0.79 | TDP1 (0.44) | ALDH1A1KDM4CKDM6BTDP1SIRT3 | |
| SCHEMBL123203 | 0.79 | KDM4C (0.51) | ALDH1A1KDM4CKDM6BTDP1SIRT3 | |
| SCHEMBL30465694 | 0.79 | KDM4C (0.51) | ALDH1A1KDM4CKDM6BTDP1SIRT3 | |
| Hydrochloric Acid SCHEMBL3092651 | 0.79 | SIRT3 (0.58) | ALDH1A1LMNAKDM4CKDM6BTDP1 | |
| SCHEMBL9002466 | 0.78 | SIRT3 (0.61) | ALDH1A1HTTKDM4CKDM6BTDP1 | |
| Acetic Acid SCHEMBL16666943 | 0.76 | KDM4C (0.49) | ALDH1A1KDM4CKDM6BTDP1SIRT3 | |
| SCHEMBL6627670 | 0.76 | SMN1; SMN2 (0.41) | ALDH1A1LMNAKDM4CKDM6BTDP1 |
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-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | BAYER PHARMACEUTICALS CORPORATION | 2004-12-30 | — | — | US | disclosed |
| EP-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | 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-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | CYP17A1, CYP21A2, HSD17B1 | ALDH1A1 88/4885LMNA 3233/4885HTT 3710/4885 |
“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.