Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 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 | |
|---|---|---|---|---|
| SCHEMBL4734764 | 0.89 | MAPT (0.57) | HTTSMYD3MAPTALDH1A1RAB9A | |
| SCHEMBL14651335 | 0.85 | MAPT (0.44) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL12501401 | 0.85 | MAPT (0.44) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL7239456 | 0.80 | HTT (0.50) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL4736636 | 0.80 | HTT (0.50) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL24369170 | 0.79 | ALDH1A1 (0.53) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL14651339 | 0.79 | MAPT (0.59) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL29488881 | 0.79 | MAPT (0.59) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL14651291 | 0.79 | MAPT (0.59) | HTTMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL12501384 | 0.79 | MAPT (0.59) | HTTMAPTALDH1A1RAB9ANPC1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2668177-B1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-22 | — | — | EP | disclosed |
| US-8772305-B2 | Substituted pyridinyl-pyrimidines and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-08 | — | — | US | disclosed |
| EP-2668177-A1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-12-04 | — | — | EP | disclosed |
| US-8466154-B2 | Methods and compositions related to wrapping of dehydrons | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-06-18 | — | — | US | disclosed |
| US-20130131076-A1 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-05-23 | — | — | US | disclosed |
| US-20130023502-A1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-24 | — | — | US | disclosed |
| WO-2012101013-A1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | WO | disclosed |
| WO-2008070350-A9 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | UNIV TEXAS (US) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008070350-A2 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-06-12 | — | — | 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 (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-20130023502-A1 | SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS | ADORA1, P2RY1, P2RY11 | HTT 4752/4885SMYD3 3817/4885MAPT 4540/4885 |
| US-20130131076-A1 | METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS | DKK1, HPN, OSBP2 | HTT 4052/4885SMYD3 2176/4885MAPT 3980/4885 |
“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.