Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTGES2 | Q9H7Z7 | 7/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8694517 | 0.84 | EDNRA (0.56) | AURKADHFRLMNATSHR | |
| SCHEMBL332569 | 0.81 | TSHR (0.70) | AURKADHFRLMNATSHRNPSR1 | |
| SCHEMBL31681365 | 0.78 | AURKA (0.67) | AURKADHFRLMNATSHRNPSR1 | |
| SCHEMBL48885 | 0.77 | CA2 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL6399557 | 0.75 | CA2 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| Methane SCHEMBL27503773 | 0.75 | CA2 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| Phenyl(Phenylsulfonyl)Amine SCHEMBL4080552 | 0.75 | KEAP1 (0.71) | AURKADHFRLMNATSHRNPSR1 | |
| SCHEMBL27842438 | 0.72 | CA1 (0.54) | CA12CA1CA2CA9 | |
| SCHEMBL8350056 | 0.72 | CA1 (0.54) | PTGES2CA12CA1CA2CA9 | |
| SCHEMBL29442129 | 0.71 | LRRK2 (0.49) | ALDH1A1CA12CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054392-A2 | 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA | Boehringer Ingelheim International GmbH (DE) | 2009-05-06 | — | — | EP | disclosed |
| WO-2007146981-A2 | 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-21 | — | — | WO | disclosed |