Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16121539 | 1.00 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HDRD4TMEM97 | |
| SCHEMBL13479261 | 0.90 | ALDH1A1 (0.57) | ALDH1A1LTA4HPOLBL3MBTL1GBA1 | |
| SCHEMBL10272308 | 0.90 | ALDH1A1 (0.57) | ALDH1A1LTA4HPOLBL3MBTL1GBA1 | |
| SCHEMBL11841 | 0.90 | ALDH1A1 (0.57) | ALDH1A1LTA4HPOLBL3MBTL1GBA1 | |
| SCHEMBL8251471 | 0.87 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HSMN1; SMN2POLB | |
| SCHEMBL1427977 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HSMN1; SMN2POLB | |
| SCHEMBL4592570 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HSMN1; SMN2POLB | |
| SCHEMBL4592170 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HSMN1; SMN2POLB | |
| SCHEMBL1955800 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HSMN1; SMN2POLB | |
| SCHEMBL1427979 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HTTLTA4HSMN1; SMN2POLB |
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 |