Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | DDO | Q99489 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 3/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19126568 | 0.78 | DAO (0.64) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL31378860 | 0.78 | DAO (0.64) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL16767846 | 0.78 | DAO (1.00) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL831042 | 0.75 | DAO (0.60) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL1368448 | 0.75 | DAO (0.65) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL10285239 | 0.75 | DAO (0.60) | DAOKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8500109 | 0.74 | KDM4E (0.63) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL6346023 | 0.74 | DAO (0.63) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL19126464 | 0.74 | DAO (0.58) | DAOKDM4EPDPK1ALDH1A1LMNA | |
| SCHEMBL31378960 | 0.73 | DAO (0.57) | DAOKDM4EPDPK1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017121444-A1 | QUINOLIN-2-ONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-07-20 | — | — | WO | disclosed |