Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.60 |
| ▸ | FYN | P06241 | 4/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | CDK7 | P50613 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.49 |
| ▸ | CCNH | P51946 | 1/20 | 0.49 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.49 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.49 |
| ▸ | ATR | Q13535 | 2/20 | 0.48 |
| ▸ | PRKCI | P41743 | 1/20 | 0.48 |
| ▸ | LDHB | P07195 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.45 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 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 | |
|---|---|---|---|---|
| SCHEMBL29724745 | 0.80 | CCNT1 (0.58) | FYNCCNT1CCND1CCNCCDK8 | |
| SCHEMBL14936808 | 0.80 | CCNT1 (0.58) | FYNCCNT1CCND1CCNCCDK8 | |
| SCHEMBL1116404 | 0.78 | ADORA1 (0.70) | DHFRFYNCDK8CDK7CDK9 | |
| SCHEMBL30401146 | 0.78 | DHFR (0.71) | DHFRADORA1FGFR1 | |
| SCHEMBL1388358 | 0.78 | DHFR (0.71) | DHFRADORA1FGFR1 | |
| SCHEMBL27631899 | 0.76 | DHFR (0.69) | DHFRADORA1MAPK1 | |
| SCHEMBL10282887 | 0.75 | FYN (0.51) | DHFRFYNCCNT1CCND1CCNC | |
| SCHEMBL1388562 | 0.75 | DHFR (1.00) | DHFRADORA1FGFR1 | |
| SCHEMBL1388276 | 0.75 | ADORA1 (0.70) | DHFRFYNCDK8CDK7CDK9 | |
| SCHEMBL1388331 | 0.75 | DHFR (0.67) | DHFRCCNT1CDK9ADORA1CHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102174024-B | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2015-02-11 | — | — | CN | disclosed |