Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.51 |
| ▸ | NOS1 | P29475 | 5/20 | 0.51 |
| ▸ | NOS2 | P35228 | 5/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | UGT1A1 | P22309 | 2/20 | 0.42 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CCKAR | P32238 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.42 |
| ▸ | HTR5A | P47898 | 3/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124430 | 1.00 | NOS3 (0.51) | NOS3NOS1NOS2TRPM8UGT1A1 | |
| SCHEMBL1124433 | 1.00 | NOS3 (0.51) | NOS3NOS1NOS2TRPM8UGT1A1 | |
| SCHEMBL2375592 | 0.92 | NOS3 (0.44) | NOS3NOS1NOS2TRPM8HTR5A | |
| SCHEMBL2375587 | 0.92 | NOS3 (0.44) | NOS3NOS1NOS2TRPM8HTR5A | |
| SCHEMBL2375583 | 0.92 | NOS3 (0.44) | NOS3NOS1NOS2TRPM8HTR5A | |
| SCHEMBL2374579 | 0.91 | NOS3 (0.43) | NOS3NOS1NOS2TRPM8HTR5A | |
| SCHEMBL2374585 | 0.91 | NOS3 (0.43) | NOS3NOS1NOS2TRPM8HTR5A | |
| SCHEMBL2374575 | 0.91 | NOS3 (0.43) | NOS3NOS1NOS2TRPM8HTR5A | |
| SCHEMBL1124512 | 0.91 | TRPV1 (0.42) | NOS3NOS1NOS2TRPM8UGT1A1 | |
| SCHEMBL1124509 | 0.91 | TRPV1 (0.42) | NOS3NOS1NOS2TRPM8UGT1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110281869-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | AISSAOUI HAMED (FR) | 2011-11-17 | — | — | US | disclosed |
| US-20110281869-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | AISSAOUI HAMED (FR) | 2011-11-17 | — | — | US | disclosed |
| US-20110224210-A1 | NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-09-15 | — | — | US | disclosed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | 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 (2 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-20110224210-A1 | NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS | CTSA, BECN1, HDAC6 | NOS3 783/4885NOS1 996/4885NOS2 548/4885 |
| US-20110281869-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | QTRT2, RECQL, QTRT1 | NOS3 1013/4885NOS1 1977/4885NOS2 1164/4885 |
“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.