Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4877146 | 0.81 | CYP1A1 (0.47) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL4880250 | 0.74 | MAOA (0.40) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL8563139 | 0.70 | CYP1A1 (0.62) | CYP1A1CYP1B1ALDH1A1KDM4EHTT | |
| SCHEMBL4884599 | 0.69 | KMT2A (0.49) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL14197358 | 0.69 | CYP1A1 (0.45) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL17714196 | 0.68 | MEN1 (0.43) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL4876502 | 0.68 | CYP1A2 (0.41) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL7929122 | 0.67 | NFE2L2 (0.57) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL196689 | 0.65 | CYP1A1 (0.69) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL29589241 | 0.65 | CYP1A1 (0.69) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD |
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-1799649-B1 | 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS | MERCK PATENT GMBH (DE) | 2014-06-25 | — | — | EP | claimed |
| US-20080090880-A1 | 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-04-17 | — | — | US | claimed |
| EP-1799649-B1 | 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS | MERCK PATENT GMBH (DE) | 2014-06-25 | — | — | EP | disclosed |
| US-20080090880-A1 | 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-04-17 | — | — | US | disclosed |
| EP-1799649-A1 | 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS | Merck Patent GmbH (DE) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006039977-A1 | 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS | MERCK PATENT GMBH (DE) | 2006-04-20 | — | — | 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-20080090880-A1 | 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators | HSP90AB1, HSP90AA1, HSP90AB2P | CYP1A1 562/4885CYP1B1 747/4885ALDH1A1 1963/4885 |
“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.