Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | CA4 | P22748 | 2/20 | 0.65 |
| ▸ | CA6 | P23280 | 2/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.65 |
| ▸ | TPMT | P51580 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | PYGL | P06737 | 5/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21729816 | 0.87 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2343153 | 0.86 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10105362 | 0.83 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL7978569 | 0.83 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10632105 | 0.83 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL25072828 | 0.81 | CA12 (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL14305976 | 0.81 | KDM5A (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL13610854 | 0.81 | CA12 (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10747256 | 0.81 | CA12 (0.64) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23375008 | 0.80 | CA12 (0.57) | CA12CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3098223-A1 | CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE | Boehringer Ingelheim International GmbH (DE) | 2016-11-30 | — | — | EP | disclosed |
| EP-1778668-B1 | METHOD FOR THE PRODUCTION OF DIHYDROPTERIDINONES | BOEHRINGER INGELHEIM INT (DE) | 2013-07-03 | — | — | EP | disclosed |
| EP-2543669-A2 | Trihydrochloride forms of a dihydropteridinone derivative and processes for preparation | Boehringer Ingelheim International GmbH (DE) | 2013-01-09 | — | — | EP | disclosed |
| WO-2009019205-A1 | CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-12 | — | — | WO | disclosed |
| WO-2007090844-A1 | TRIHYDROCHLORIDE FORMS OF A DIHYDROPTERIDINONE DERIVATIVE AND PROCESSES FOR PREPARATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-08-16 | — | — | WO | disclosed |