Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | TYMP | P19971 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31751085 | 0.80 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL2930860 | 0.80 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL20148148 | 0.80 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL2931002 | 0.80 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL2120900 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL3841277 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL2119207 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL6697661 | 0.78 | ALDH1A1 (0.41) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL23277094 | 0.73 | CES2 (0.39) | ALDH1A1ALOX15CES2CES1TYMP | |
| SCHEMBL5772833 | 0.73 | CES2 (0.39) | ALDH1A1ALOX15CES2CES1TYMP |
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-20040077675-A1 | Compounds and methods for inhibiting MRP1 | BONJOUKLIAN ROSANNE (US) | 2004-04-22 | — | — | 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-20040077675-A1 | Compounds and methods for inhibiting MRP1 | ABCC1, ABCB1, ABCB11 | ALDH1A1 212/4885ALOX15 3215/4885CES2 791/4885 |
“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.