Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20160668 | 0.83 | TNKS (0.39) | SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL20160885 | 0.82 | NPC1 (0.44) | NPC1CYP2A13ALDH1A1HTTCNR2 | |
| SCHEMBL20465105 | 0.76 | CYP2A13 (0.51) | CYP2A13ALDH1A1MAPTPOLBSYK | |
| SCHEMBL15214350 | 0.75 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1LMNACXCR4 | |
| SCHEMBL19145771 | 0.74 | SMN1; SMN2 (0.47) | NPC1CYP2A13SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL12767186 | 0.73 | BCHE (0.38) | NPC1RAB9AALDH1A1CXCR4 | |
| SCHEMBL19145279 | 0.73 | KDM4E (0.51) | NPC1SMN1; SMN2CYP2C19RAB9AALDH1A1 | |
| SCHEMBL12727211 | 0.72 | ALOX5AP (0.39) | CXCR4 | |
| SCHEMBL20160984 | 0.72 | CYP2A13 (0.57) | NPC1CYP2A13SMN1; SMN2CYP2C19RAB9A | |
| SCHEMBL15198047 | 0.71 | HRH3 (0.46) | SMN1; SMN2CYP1A2CYP3A4TDP1HRH3 |
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-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |