Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4980596 | 0.88 | HTR1A (0.53) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL6872280 | 0.86 | PDE4A (0.45) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL3128179 | 0.81 | TLR2 (0.46) | SMN1; SMN2 | |
| SCHEMBL7019519 | 0.80 | MAPT (0.55) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL8699251 | 0.79 | HCRTR1 (0.41) | TDP1SMN1; SMN2 | |
| SCHEMBL933579 | 0.78 | APP (0.62) | NPC1RAB9ATDP1MAOBBCHE | |
| SCHEMBL430374 | 0.78 | NPC1 (0.49) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL29571690 | 0.77 | FFAR1 (0.49) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL16018989 | 0.76 | ABCB1 (0.68) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL13377776 | 0.75 | NPC1 (0.52) | NPC1RAB9ATDP1MAOBAPP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3325468-A1 | CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS | Eli Lilly and Company (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017015124-A1 | CHK1/2 INHIBITORS FOR USE IN THE TREATMENT OF NEUROBLASTOMAS AND/OR SOFT TISSUE SARCOMAS | ELI LILLY AND COMPANY (US) | 2017-01-26 | — | — | WO | disclosed |
| EP-2379532-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | Eli Lilly and Company (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010077758-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | ELI LILLY AND COMPANY (US) | 2010-07-08 | — | — | WO | disclosed |