Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30933674 | 0.82 | ESR1 (0.49) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL1135931 | 0.82 | ALDH1A1 (0.63) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL160022 | 0.82 | ESR1 (0.49) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL9864607 | 0.81 | ESR1 (0.52) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL310386 | 0.81 | KMT2A (0.52) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL29515031 | 0.81 | KMT2A (0.52) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL20169819 | 0.80 | TRPA1 (0.48) | HSD17B10ALDH1A1KDM4EHPGDKMT2A | |
| Hydrochloric Acid SCHEMBL27700838 | 0.80 | ESR1 (0.47) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| SCHEMBL28191351 | 0.80 | ESR1 (0.47) | ESR1ESR2HSD17B10ALDH1A1KDM4E | |
| Iodide SCHEMBL27448066 | 0.80 | ESR1 (0.47) | ESR1ESR2HSD17B10ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021045879-A1 | SYNTHESIS OF DEUTERATED ALDEHYDES | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2021-03-11 | — | — | WO | disclosed |
| US-20160346270-A1 | BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 | AUSPEX PHARMACEUTICALS, INC. | 2016-12-01 | — | — | 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-20160346270-A1 | BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 | SLC18A2, SLC6A2, SLC18A1 | ESR1 3799/4885ESR2 2478/4885HSD17B10 625/4885 |
“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.