Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27985721 | 0.88 | DHFR (0.68) | DHFRNPC1POLBRAB9ADYRK1A | |
| SCHEMBL28342224 | 0.81 | DHFR (1.00) | DHFRKDM4EADORA2AADORA1KDR | |
| SCHEMBL30556294 | 0.81 | DHFR (1.00) | DHFRKDM4EADORA2AADORA1KDR | |
| SCHEMBL6321411 | 0.80 | NPC1 (0.49) | DHFRNPC1POLBRAB9ADYRK1A | |
| Ammonia Solution, Strong SCHEMBL4399088 | 0.78 | ADORA1 (0.48) | DHFRNPC1POLBRAB9ADYRK1A | |
| SCHEMBL27985699 | 0.77 | DHFR (0.65) | DHFRNPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL25157943 | 0.77 | DYRK1A (0.52) | DHFRNPC1POLBRAB9ADYRK1A | |
| SCHEMBL30406202 | 0.77 | DYRK1A (0.52) | DHFRNPC1POLBRAB9ADYRK1A | |
| SCHEMBL6311534 | 0.77 | NPC1 (0.46) | DHFRNPC1POLBRAB9ADYRK1A | |
| SCHEMBL4399087 | 0.76 | LCK (0.45) | DHFRNPC1POLBRAB9ADYRK1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459236-B | Pyrimidine inhibitors of kinase activity | ABBVIE (US) | 2014-10-29 | — | — | CN | claimed |
| CN-102459236-B | Pyrimidine inhibitors of kinase activity | ABBVIE (US) | 2014-10-29 | — | — | CN | disclosed |
| WO-2010138578-A1 | PYRIMIDINE INHIBITORS OF KINASE ACTIVITY | ABBOTT LABORATORIES (US) | 2010-12-02 | — | — | WO | disclosed |