Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | MC4R | P32245 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.54 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.54 |
| ▸ | CACNB1 | Q02641 | 4/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.54 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5079984 | 0.86 | CACNA2D1 (0.73) | ALDH1A1CYP2D6CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL10076049 | 0.86 | CACNA2D1 (0.72) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL27571753 | 0.83 | CYP2D6 (0.71) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL19049380 | 0.82 | KMT2A (0.73) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL13149986 | 0.82 | GAA (0.66) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL21169234 | 0.81 | CYP2D6 (0.67) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL6706135 | 0.79 | CYP2D6 (1.00) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL16226061 | 0.79 | CYP2D6 (1.00) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL7264542 | 0.79 | CYP2D6 (1.00) | ALDH1A1CYP2D6MC4RCHRM1CHRM2 | |
| SCHEMBL28785758 | 0.79 | BLM (0.51) | ALDH1A1CYP2D6BLMCACNA2D1CACNA1B |
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-20170174699-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE | SHY Therapeutics LLC | 2017-06-22 | — | — | 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-20170174699-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE | MAPK6, MAP3K6, MAPK4 | ALDH1A1 2765/4885CYP2D6 4551/4885BLM 3566/4885 |
“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.