Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 2/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5828843 | 1.00 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1AXLKDM4E | |
| SCHEMBL5827813 | 0.86 | FLT3 (0.44) | CYP1A2AXLKDM4EMAPTMEN1 | |
| SCHEMBL5827811 | 0.86 | FLT3 (0.44) | CYP1A2AXLKDM4EMAPTMEN1 | |
| SCHEMBL5828295 | 0.83 | NFE2L2 (0.55) | CYP1A2AXLKDM4EMAPTMEN1 | |
| SCHEMBL5828296 | 0.83 | NFE2L2 (0.55) | CYP1A2AXLKDM4EMAPTMEN1 | |
| SCHEMBL5829276 | 0.82 | CYP19A1 (0.46) | CYP1A2AXLKDM4EMAPTMEN1 | |
| SCHEMBL5829273 | 0.82 | CYP19A1 (0.46) | CYP1A2AXLKDM4EMAPTMEN1 | |
| SCHEMBL5827972 | 0.80 | AXL (0.50) | CYP1A1CYP1A2CYP1B1AXLKDM4E | |
| SCHEMBL5827969 | 0.80 | AXL (0.50) | CYP1A1CYP1A2CYP1B1AXLKDM4E | |
| SCHEMBL5829136 | 0.80 | AXL (0.50) | CYP1A2AXLKDM4EMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |