Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2249411 | 1.00 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| SCHEMBL29353415 | 0.98 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| SCHEMBL56503 | 0.98 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| SCHEMBL18096530 | 0.96 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| Hydrochloric Acid SCHEMBL705644 | 0.96 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| Hydrochloric Acid SCHEMBL15608549 | 0.94 | ALDH1A1 (0.35) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| Dimethylamine SCHEMBL25241553 | 0.92 | ALDH1A1 (0.34) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| SCHEMBL15546288 | 0.92 | CYP2A6 (0.39) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 | |
| Acetic Acid SCHEMBL4292894 | 0.91 | SMN1; SMN2 (0.39) | ALDH1A1HSD17B10HPGDBCL2L1BACE1 | |
| SCHEMBL31379078 | 0.90 | CYP2A6 (0.38) | ALDH1A1HSD17B10CYP2A6HPGDBCL2L1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PARMEE EMMA R | 2007-04-19 | — | — | 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-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | ALDH1A1 1729/4885HSD17B10 688/4885CYP2A6 441/4885 |
“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.