Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30779585 | 1.00 | CES2 (0.44) | CES2CES1GRM1OPRM1OPRL1 | |
| SCHEMBL30779636 | 0.87 | CES2 (0.44) | CES2CES1OPRM1OPRL1TSHR | |
| SCHEMBL21644689 | 0.87 | CES2 (0.44) | CES2CES1OPRM1OPRL1TSHR | |
| SCHEMBL20509055 | 0.85 | HSP90AA1 (0.43) | GRM1HSP90AA1HSP90AB1HDAC1HDAC6 | |
| SCHEMBL21644643 | 0.84 | TSHR (0.59) | CES2CES1OPRM1OPRL1TSHR | |
| SCHEMBL30779634 | 0.84 | TSHR (0.59) | CES2CES1OPRM1OPRL1TSHR | |
| SCHEMBL30779539 | 0.82 | TSHR (0.48) | CES2CES1OPRM1OPRL1TSHR | |
| SCHEMBL21644518 | 0.82 | TSHR (0.48) | CES2CES1OPRM1OPRL1TSHR | |
| SCHEMBL21644586 | 0.74 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1HDAC1HDAC6HDAC3 | |
| SCHEMBL21644686 | 0.73 | POLB (0.59) | HDAC1HDAC6KDM4EMAPTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111164074-B | Heat shock protein 90 inhibitors | 台北医学大学 | 2024-02-02 | — | — | CN | disclosed |
| US-11479528-B2 | Heat shock protein 90 inhibitors | TAIPEI MEDICAL UNIVERSITY (TW) | 2022-10-25 | — | — | US | disclosed |
| CN-111164074-A | Heat shock protein 90 inhibitor | 台北医学大学 | 2020-05-15 | — | — | CN | disclosed |
| US-20200039923-A1 | HEAT SHOCK PROTEIN 90 INHIBITORS | TAIPEI MEDICAL UNIVERSITY (TW) | 2020-02-06 | — | — | 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 (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-20200039923-A1 | HEAT SHOCK PROTEIN 90 INHIBITORS | HSP90AB1, HSP90AB2P, HSP90AA1 | CES2 3573/4885CES1 3001/4885GRM1 3622/4885 |
| US-11479528-B2 | Heat shock protein 90 inhibitors | HSP90AB1, HSP90AB2P, HSP90AA1 | CES2 3573/4885CES1 3001/4885GRM1 3622/4885 |
“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.