Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 9/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5209668 | 0.77 | LMNA (0.49) | COMTCDK4CCNE1CDK2LMNA | |
| SCHEMBL18480850 | 0.73 | CDK4 (0.41) | COMTCDK4CDK2LMNAHTT | |
| SCHEMBL6842100 | 0.68 | CDC7 (0.44) | COMTCCNE1CDK2LMNAHTT | |
| SCHEMBL18480756 | 0.64 | CDK4 (0.51) | CDK4CDK2NPC1RAB9A | |
| SCHEMBL1680228 | 0.64 | CYP3A4 (0.49) | MKNK2COMTLMNAHTTNPC1 | |
| SCHEMBL29816625 | 0.61 | NPC1 (0.42) | NPC1ALOX15RAB9A | |
| SCHEMBL1673128 | 0.60 | — | — | |
| SCHEMBL10927242 | 0.59 | ALDH1A1 (0.63) | LMNAALOX15 | |
| SCHEMBL16849957 | 0.58 | KDM4E (0.40) | — | |
| SCHEMBL24378644 | 0.57 | ECE1 (0.42) | HTTNPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017020065-A1 | N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS | UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2017-02-09 | — | — | WO | disclosed |