Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28807150 | 1.00 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1TAAR1 | |
| SCHEMBL13881969 | 0.86 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1 | |
| SCHEMBL27488396 | 0.83 | LARS1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1 | |
| SCHEMBL16935716 | 0.82 | TAAR1 (0.49) | TAAR1KMT2ATDP1CTRB1 | |
| SCHEMBL845905 | 0.82 | TAAR1 (0.49) | TAAR1KMT2ATDP1CTRB1 | |
| Hydrochloric Acid SCHEMBL27530776 | 0.82 | LARS1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27507458 | 0.82 | LARS1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL6025421 | 0.76 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1 | |
| SCHEMBL2033350 | 0.76 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1 | |
| SCHEMBL1506725 | 0.76 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103270024-B | Novel substituted isoquinoline derivative | WESTERN THERAPEUTICS INST INC | 2015-07-08 | — | — | CN | disclosed |
| CN-103270024-A | Novel substituted isoquinoline derivative | WESTERN THERAPEUTICS INST INC | 2013-08-28 | — | — | CN | disclosed |