Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.49 |
| ▸ | HEXA | P06865 | 1/20 | 0.49 |
| ▸ | HEXB | P07686 | 1/20 | 0.49 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3945187 | 0.86 | KDM4E (0.54) | RAB9AAURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL6813816 | 0.83 | ADORA2A (0.73) | RAB9AAURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL5745564 | 0.83 | ADORA2A (0.55) | AURKAPDPK1TGFBR1ROCK1AURKB | |
| SCHEMBL5747382 | 0.83 | HSP90AA1 (0.58) | AURKAPDPK1TGFBR1ROCK1AURKB | |
| SCHEMBL9920523 | 0.81 | RAB9A (0.53) | RAB9AXDHNPC1KDM4EKMO | |
| SCHEMBL1357541 | 0.81 | AURKA (0.49) | RAB9AAURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL5751719 | 0.80 | HSP90AA1 (0.54) | RAB9AADORA2AADORA1NPC1KDM4E | |
| SCHEMBL15757289 | 0.80 | NUDT1 (0.58) | RAB9AXDHAURKAPDPK1TGFBR1 | |
| SCHEMBL3851837 | 0.79 | RAB9A (0.58) | RAB9AXDHADORA2ANPC1KDM4E | |
| SCHEMBL1358476 | 0.79 | XDH (0.55) | XDHAURKAPDPK1TGFBR1ROCK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2323992-B1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-07-20 | — | — | EP | disclosed |
| EP-2323992-B1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-07-20 | — | — | EP | disclosed |
| US-8916548-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-23 | — | — | US | disclosed |
| US-8916548-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-23 | — | — | US | disclosed |
| US-8916548-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-23 | — | — | US | disclosed |
| US-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-17 | — | — | US | disclosed |
| US-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-17 | — | — | US | disclosed |
| US-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-17 | — | — | US | disclosed |
| EP-2323992-A1 | 5-ALKYNYL-PYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010012740-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-04 | — | — | WO | disclosed |
| WO-2010012740-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-04 | — | — | 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-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | RAB9A 2654/4885XDH 435/4885AURKA 746/4885 |
“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.