Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 5/20 | 0.44 |
| ▸ | TUBB | P07437 | 5/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 5/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 5/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27661192 | 0.97 | ACHE (0.56) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL11939188 | 0.84 | TPMT (0.53) | ACHECYP3A4MAPTCA9TUBB4A | |
| SCHEMBL19681306 | 0.80 | CYP3A4 (0.38) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL721861 | 0.77 | ACHE (0.65) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL13306582 | 0.76 | CYP1A2 (0.45) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL20736608 | 0.76 | TUBB1 (0.35) | ACHECYP3A4MAPTCA9ALDH1A1 | |
| SCHEMBL171116 | 0.74 | ACHE (1.00) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL686849 | 0.74 | CYP1A2 (0.64) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL1402314 | 0.74 | ACHE (0.62) | ACHECYP3A4MAPTCA9PTGS2 | |
| SCHEMBL679526 | 0.73 | ACHE (0.60) | ACHECYP3A4MAPTCA9PTGS2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3037421-A1 | MLK INHIBITORS AND METHODS OF USE | University Of Rochester (US) | 2016-06-29 | — | — | EP | disclosed |
| EP-2952501-A2 | Anti-cancer dibenzocycloheptane derivatives and a catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis | University of Windsor (CA) | 2015-12-09 | — | — | EP | disclosed |
| US-9181247-B2 | Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors | THE UNIVERSITY OF ROCHESTER (US) | 2015-11-10 | — | — | US | disclosed |
| EP-2379561-B1 | MLK INHIBITORS AND METHODS OF USE | UNIV ROCHESTER (US) | 2015-11-04 | — | — | EP | disclosed |
| EP-2684887-B1 | New process for preparing arylboranes by arylation of organoboron compounds | UNIV BORDEAUX (FR) | 2015-06-17 | — | — | EP | disclosed |
| US-20150105401-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER (US) | 2015-04-16 | — | — | US | disclosed |
| US-8877772-B2 | Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors | UNIVERSITY OF ROCHESTER (US) | 2014-11-04 | — | — | US | disclosed |
| WO-2014085795-A1 | MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES | UNIVERSITY OF ROCHESTER (US) | 2014-06-05 | — | — | WO | disclosed |
| WO-2014009169-A1 | NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS | UNIVERSITE DE BORDEAUX 1 (FR) | 2014-01-16 | — | — | WO | disclosed |
| US-20120053175-A1 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2012-03-01 | — | — | US | disclosed |
| US-7838520-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2010-11-23 | — | — | US | disclosed |
| US-20090142832-A1 | Indoles, Derivatives, and Analogs Thereof and Uses Therefor | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-06-04 | — | — | 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 (3 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-20120053175-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | ACHE 2287/4885CYP3A4 4315/4885MAPT 769/4885 |
| US-20090142832-A1 | Indoles, Derivatives, and Analogs Thereof and Uses Therefor | TUBB, TUBB1, TUBB6 | ACHE 4275/4885CYP3A4 3917/4885MAPT 55/4885 |
| US-20150105401-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | ACHE 2287/4885CYP3A4 4315/4885MAPT 769/4885 |
“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.