Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 8/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133127 | 1.00 | BRD4 (0.47) | BRD4NPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL30622243 | 0.78 | BRD4 (0.36) | BRD4NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL29133047 | 0.78 | BRD4 (0.36) | BRD4NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL29133096 | 0.78 | RAB9A (0.44) | BRD4NPC1RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL30622190 | 0.78 | RAB9A (0.44) | BRD4NPC1RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL4230324 | 0.76 | NPC1 (0.65) | BRD4NPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL8177826 | 0.75 | RAB9A (0.47) | BRD4NPC1RAB9ATDP1SMN1; SMN2 | |
| SCHEMBL4799665 | 0.72 | IDO1 (0.37) | KMT2AALDH1A1HPGDTSHRNPSR1 | |
| SCHEMBL15271912 | 0.71 | BRD4 (0.41) | BRD4NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL30622184 | 0.70 | TDP1 (0.49) | NPC1RAB9ATDP1L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |