Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 2/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28844393 | 0.85 | RAB9A (0.61) | NPC1RAB9APKMGAATLR9 | |
| SCHEMBL28844391 | 0.81 | RAB9A (0.64) | NPC1RAB9AHPGDPKMGAA | |
| SCHEMBL9834330 | 0.80 | KMT2A (0.61) | NPC1RAB9AHPGDGAASMN1; SMN2 | |
| SCHEMBL39842 | 0.79 | KMT2A (0.50) | NPC1RAB9AHPGDGAASMN1; SMN2 | |
| SCHEMBL4188221 | 0.72 | NPC1 (1.00) | NPC1RAB9APKMGAATLR9 | |
| SCHEMBL29874794 | 0.72 | NPC1 (1.00) | NPC1RAB9APKMGAATLR9 | |
| SCHEMBL11879033 | 0.72 | KMT2A (0.42) | NPC1RAB9AHPGDGAASMN1; SMN2 | |
| SCHEMBL677618 | 0.71 | BRD4 (0.50) | HPGDCYP1A2CYP2A6RXFP1CYP11B2 | |
| SCHEMBL13806435 | 0.71 | CYP1A2 (0.46) | HPGDPKMGAATLR9KMT2A | |
| SCHEMBL7898985 | 0.71 | RNASEH1 (0.50) | HPGDPKMGAATLR9KMT2A |
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-110790752-B | Synthetic method of (iso) quinoline and quinoxaline substituted flavone and quinolone derivatives | 陕西师范大学 | 2022-08-23 | — | — | CN | disclosed |
| CN-110790752-A | Synthesis method of (iso) quinoline and quinoxaline substituted flavone and quinolone derivatives | 陕西师范大学 | 2020-02-14 | — | — | CN | disclosed |