Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 3/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1787959 | 0.80 | VNN1 (0.30) | — | |
| SCHEMBL31375503 | 0.75 | NPSR1 (0.42) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL26635446 | 0.75 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL5078717 | 0.74 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL2273601 | 0.74 | MAOB (0.57) | MAOBKIF11 | |
| SCHEMBL31375522 | 0.73 | HDAC4 (0.41) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL31375512 | 0.73 | HDAC4 (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL679626 | 0.72 | TSHR (0.56) | MAOBALDH1A1TRPA1TSHR | |
| SCHEMBL9609757 | 0.72 | TSHR (0.56) | MAOBALDH1A1TRPA1TSHR | |
| SCHEMBL31375543 | 0.71 | ALOX15 (0.37) | PDPK1NPC1RAB9ASMN1; SMN2ALDH1A1 |
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-119677733-A | Bicyclic tetrahydrothiazepine derivatives | 豪夫迈·罗氏有限公司 | 2025-03-21 | — | — | CN | disclosed |