Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27250 | 0.78 | NOTUM (0.65) | ALDH1A1NOTUMMAPK1MAPTHTT | |
| SCHEMBL9438 | 0.78 | CYP1A2 (0.48) | ALDH1A1MAPK1MAPTL3MBTL1RAB9A | |
| SCHEMBL31519384 | 0.76 | CYP1A2 (0.47) | ALDH1A1MAPK1MAPTL3MBTL1RAB9A | |
| SCHEMBL30636164 | 0.76 | CYP1A2 (0.47) | ALDH1A1MAPK1MAPTL3MBTL1RAB9A | |
| Ammonia Solution, Strong SCHEMBL29843017 | 0.76 | CYP1A2 (0.47) | ALDH1A1MAPK1MAPTL3MBTL1RAB9A | |
| SCHEMBL842039 | 0.76 | NOTUM (0.63) | ALDH1A1NOTUMMAPK1MAPTHTT | |
| SCHEMBL6428811 | 0.76 | NOTUM (0.63) | ALDH1A1NOTUMMAPK1MAPTHTT | |
| Hydrochloric Acid SCHEMBL15510676 | 0.76 | NOTUM (0.63) | ALDH1A1NOTUMMAPK1MAPTHTT | |
| SCHEMBL842040 | 0.76 | CYP1A2 (0.47) | ALDH1A1MAPK1MAPTL3MBTL1RAB9A | |
| SCHEMBL514704 | 0.76 | NOTUM (0.63) | ALDH1A1NOTUMMAPK1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |