Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL487041 | 0.89 | ALDH1A1 (0.54) | CYP3A4ACHEALDH1A1TDP1CYTH2 | |
| Formaldehyde SCHEMBL28712793 | 0.85 | ALDH1A1 (0.50) | CYP3A4ALDH1A1TDP1CYTH2MCL1 | |
| SCHEMBL231446 | 0.84 | GPR35 (0.45) | ALDH1A1TDP1GPR35TSHRALOX15 | |
| SCHEMBL31538467 | 0.83 | GPR35 (0.50) | ACHEALDH1A1TDP1MCL1GPR35 | |
| SCHEMBL31538466 | 0.83 | GPR35 (0.50) | ACHEALDH1A1TDP1MCL1GPR35 | |
| SCHEMBL11107564 | 0.83 | GPR35 (0.50) | ACHEALDH1A1TDP1MCL1GPR35 | |
| SCHEMBL6206050 | 0.81 | CYP3A4 (0.49) | CYP3A4ALDH1A1TDP1MCL1GPR35 | |
| SCHEMBL25726029 | 0.80 | ALDH1A1 (0.41) | CYP3A4ALDH1A1TDP1MCL1GPR35 | |
| SCHEMBL71098 | 0.79 | GPR35 (0.45) | ALDH1A1TDP1MCL1GPR35GRIN2D | |
| SCHEMBL22995882 | 0.77 | PKM (0.44) | CYP3A4ALDH1A1TDP1CYTH2TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| EP-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| US-8952014-B2 | Pyrimidine derivatives which are CGRP—antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-8952014-B2 | Pyrimidine derivatives which are CGRP—antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-8952014-B2 | Pyrimidine derivatives which are CGRP—antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-8853621-B2 | Systems and methods extending the laserspray ionization mass spectrometry concept from atmospheric pressure to vacuum | WAYNE STATE UNIVERSITY (US) | 2014-10-07 | — | — | US | disclosed |
| US-20140027631-A1 | Systems and Methods Extending the Laserspray Ionization Mass Spectrometry Concept from Atmospheric Pressure to Vacuum | WAYNE STATE UNIVERSITY (US) | 2014-01-30 | — | — | US | disclosed |
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | disclosed |
| EP-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | 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-20120088755-A1 | Novel Compounds | SLC26A4, F12, SLCO1B3 | CYP3A4 399/4885ACHE 3027/4885ALDH1A1 887/4885 |
“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.