Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 12/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 12/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 3/20 | 0.38 |
| ▸ | CRAT | P43155 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21462580 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL21462579 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL2766000 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL795359 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL18117431 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL4378947 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL20245188 | 0.80 | MTNR1A (0.39) | ALDH1A1TDP1MTNR1AMTNR1BKDM4E | |
| SCHEMBL23445656 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPTSMN1; SMN2ACACB | |
| SCHEMBL20970384 | 0.78 | CYP2C9 (0.45) | ALDH1A1TDP1SMN1; SMN2ACACB | |
| SCHEMBL18394981 | 0.78 | MTNR1A (0.46) | ALDH1A1MTNR1AMTNR1BKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |
| EP-3082805-B1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INST FOR DRUG DISCOVERY LLC (US) | 2020-02-05 | — | — | EP | disclosed |
| US-20160297823-A1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INSTITUTE FOR DRUG DISCOVERY, LLC | 2016-10-13 | — | — | US | disclosed |
| WO-2015095701-A1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | THE INSTITUTE FOR DRUG DELIVERY (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2012046062-A1 | USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS | SHIRE, LLC (US) | 2012-04-12 | — | — | 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 (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-20160297823-A1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | CMA1, CHIA, AADAC | ALDH1A1 1006/4885TDP1 1348/4885MTNR1A 711/4885 |
“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.