Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.54 |
| ▸ | SQLE | Q14534 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4307163 | 1.00 | KMT2A (0.60) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL8940810 | 0.98 | KMT2A (0.64) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL1105232 | 0.98 | KMT2A (0.64) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL23458529 | 0.84 | KMT2A (0.52) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL23458530 | 0.84 | KMT2A (0.52) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL28814759 | 0.83 | KMT2A (0.45) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL10000157 | 0.81 | KMT2A (0.64) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL10000172 | 0.81 | KMT2A (0.64) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL20510124 | 0.81 | KMT2A (0.64) | KMT2AALOX15MEN1CYP3A4ALDH1A1 | |
| SCHEMBL10544495 | 0.81 | KMT2A (0.64) | KMT2AALOX15MEN1CYP3A4ALDH1A1 |
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-20140243404-A1 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140243404-A1 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-08-28 | — | — | US | disclosed |
| WO-2012037069-A2 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-03-22 | — | — | WO | disclosed |
| US-6998378-B2 | 5,7,7-trimethyloctannitril | SYMRISE GMBH & CO. KG (DE) | 2006-02-14 | — | — | US | disclosed |
| US-20040127394-A1 | 5,7,7-Trimethyloctannitril | SYMRISE GMBH & CO. KG (DE) | 2004-07-01 | — | — | 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 (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-20140243404-A1 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | WEE1, WEE2, NOTUM | KMT2A 3869/4885ALOX15 161/4885MEN1 2647/4885 |
| US-20040127394-A1 | 5,7,7-Trimethyloctannitril | API5, TAS2R5, TAAR5 | KMT2A 2773/4885ALOX15 761/4885MEN1 2646/4885 |
“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.