Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8161901 | 0.72 | MAOB (0.48) | HIF1AACHEBCL2BCL2L1HPGD | |
| SCHEMBL16149017 | 0.69 | CYP1A2 (0.47) | CYP1A2CYP2C9MAPK1HIF1ABCL2 | |
| SCHEMBL7365793 | 0.69 | CYP1A2 (0.44) | CYP1A2CYP2C9MAPK1HIF1ABCL2 | |
| SCHEMBL28298668 | 0.69 | CALM1 (0.50) | ACHEALDH1A1GLAHPGDLMNA | |
| SCHEMBL3895689 | 0.68 | TSHR (0.47) | CYP1A2CYP2C9MAPK1HIF1AIDH1 | |
| SCHEMBL5952808 | 0.68 | ACHE (0.47) | CYP1A2CYP2C9ACHEBCL2BCL2L1 | |
| SCHEMBL12457724 | 0.67 | LMNA (0.48) | CYP1A2CYP2C9MAPK1HIF1ABCL2 | |
| SCHEMBL27623517 | 0.66 | MAOA (0.57) | CYP1A2CYP2C9MAPK1HIF1AIDH1 | |
| SCHEMBL16817137 | 0.63 | MAOA (0.48) | CYP1A2CYP2C9MAPK1HIF1ASHBG | |
| SCHEMBL305339 | 0.62 | CALM1 (0.52) | CYP1A2CYP2C9MAPK1HIF1AIDH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9643919-B2 | Cycloalkyl-dione derivatives and methods of their use | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2017-05-09 | — | — | US | disclosed |
| US-20160031805-A1 | CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-02-04 | — | — | 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 (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-20160031805-A1 | CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE | CYP1B1, SQLE, C1S | CYP1A2 11/4885CYP2C9 109/4885MAPK1 1497/4885 |
“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.