Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1007376 | 0.79 | DHFR (0.53) | DHFRACHENUDT1HSP90AA1HSP90AB1 | |
| SCHEMBL29526654 | 0.75 | ADORA3 (0.47) | ACHEADORA2ACLK1ALDH1A1MAPT | |
| SCHEMBL1233223 | 0.75 | ADORA3 (0.47) | ACHEADORA2ACLK1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL5572086 | 0.73 | ADORA3 (0.46) | ACHEADORA2ACLK1ALDH1A1MAPT | |
| SCHEMBL1008832 | 0.73 | DHFR (0.46) | DHFRACHENUDT1HCAR2HSP90AA1 | |
| SCHEMBL5698522 | 0.72 | PARP1 (0.44) | HSP90AA1HSP90AB1IDO1PSMB5ALDH1A1 | |
| SCHEMBL1140927 | 0.71 | DHFR (0.42) | DHFRACHENUDT1HCAR2TGFBR1 | |
| SCHEMBL29809376 | 0.71 | DHFR (0.42) | DHFRACHENUDT1HCAR2TGFBR1 | |
| SCHEMBL4932780 | 0.70 | LMNA (0.40) | NUDT1HCAR2HSP90AA1MAPTLMNA | |
| SCHEMBL4377817 | 0.69 | DHFR (0.40) | DHFRACHENUDT1HCAR2HSP90AA1 |
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-1863809-A2 | PYRAZOLOPYRIDINES AND ANALOGS THEREOF | Coley Pharmaceutical Group, Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006107753-A2 | PYRAZOLOPYRIDINES AND ANALOGS THEREOF | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2006-10-12 | — | — | WO | disclosed |