Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA6 | P23280 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL3392217 | 0.78 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1PTGS2ACHECA1 | |
| SCHEMBL3393633 | 0.77 | CA2 (0.49) | HSP90AA1HSP90AB1PTGS2ACHECA1 | |
| SCHEMBL4105912 | 0.75 | HTR2A (0.41) | HSP90AA1HSP90AB1CYP3A4MAPTHTR2A | |
| SCHEMBL29643005 | 0.74 | CYP3A4 (0.45) | ACHECA2CYP3A4MAPTHTR2A | |
| SCHEMBL4042555 | 0.74 | CYP3A4 (0.45) | ACHECA2CYP3A4MAPTHTR2A | |
| SCHEMBL3372657 | 0.74 | TAAR1 (0.47) | CYP3A4MAPTHTR2AHTR2CHTR2B | |
| SCHEMBL7137120 | 0.73 | ACHE (0.46) | PTGS2ACHECYP3A4MAPTCA9 | |
| SCHEMBL5143507 | 0.72 | IMPDH2 (0.46) | PTGS2ACHECA1CA2CA4 | |
| SCHEMBL6909575 | 0.72 | PTGS2 (0.47) | HSP90AA1PTGS2ACHECA1CA2 | |
| SCHEMBL31689745 | 0.71 | ACHE (0.50) | PTGS2ACHECYP3A4MAPTCA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101906106-A | New heterogeneous ring compound as the HSP90-inhibitor | CONFORMA THERAPEUTICS CORP | 2010-12-08 | — | — | CN | disclosed |
| CN-1882589-B | Novel heterocyclic compounds as HSP 90-inhibitors | CONFORMA THERAPEUTICS CORP | 2010-06-09 | — | — | CN | disclosed |
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |
| US-20070173483-A1 | Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-26 | — | — | US | disclosed |
| CN-1882589-A | Novel heterocyclic compounds as HSP 90-inhibitors | CONFORMA THERAPEUTICS CORP (US) | 2006-12-20 | — | — | CN | disclosed |
| US-7138402-B2 | Pyrrolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-11-21 | — | — | US | disclosed |
| EP-1670802-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | Conforma Therapeutic Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| US-20050107343-A1 | Pyrrolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION | 2005-05-19 | — | — | US | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | 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 (2 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-20050107343-A1 | Pyrrolopyrimidines and related analogs as HSP90-inhibitors | HSP90AB2P, HSP90AB1, HSP90AA1 | HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 621/4885 |
| US-20070173483-A1 | Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors | HSP90AB2P, HSP90AB1, HSP90AA1 | HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 621/4885 |
“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.