Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28844355 | 0.76 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AHTTMAPT | |
| SCHEMBL31113471 | 0.76 | AXL (0.38) | ALDH1A1HTTSMN1; SMN2PLAUKDM4E | |
| SCHEMBL30050271 | 0.74 | CCNC (0.48) | KDM4ENOS3NOS2 | |
| SCHEMBL317086 | 0.74 | CCNC (0.48) | KDM4ENOS3NOS2 | |
| SCHEMBL10161488 | 0.73 | DYRK1B (0.41) | ALDH1A1HTTMAPTSMN1; SMN2PLAU | |
| SCHEMBL9999186 | 0.72 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AHTTMAPT | |
| SCHEMBL23301410 | 0.71 | NOS3 (0.37) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E | |
| SCHEMBL29656845 | 0.71 | NOS3 (0.37) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E | |
| SCHEMBL29878151 | 0.70 | ADRB2 (0.51) | NOS3NOS2 | |
| SCHEMBL317413 | 0.70 | ADRB2 (0.51) | NOS3NOS2 |
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-106810550-A | A kind of preparation method of 7-naphthyridine derivatives | 湖南华腾制药有限公司 | 2017-06-09 | — | — | CN | claimed |
| CN-106810550-A | A kind of preparation method of 7-naphthyridine derivatives | 湖南华腾制药有限公司 | 2017-06-09 | — | — | CN | disclosed |