Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8605381 | 0.87 | CYP19A1 (0.54) | CYP19A1NR3C1NPC1RAB9AAR | |
| SCHEMBL30448631 | 0.81 | CYP19A1 (0.66) | CYP19A1NR3C1HTR1AADRA1DADRA1A | |
| SCHEMBL21824613 | 0.78 | NPC1 (0.55) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL22989897 | 0.74 | MAOB (0.51) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL5203042 | 0.74 | CYP19A1 (0.64) | CYP19A1NR3C1HTR1AADRA1DADRA1A | |
| SCHEMBL3446415 | 0.74 | ALDH1A1 (0.54) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL3447303 | 0.72 | ABCB1 (0.55) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL621125 | 0.71 | NPC1 (0.50) | CYP19A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3296630 | 0.71 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL22440563 | 0.71 | NPC1 (0.53) | HTR1AADRA1DADRA1AADRA1BNPC1 |
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-116332948-A | Nitrogen-containing tetracyclic compound, preparation method and medicinal application thereof | 翰森生物有限责任公司 | 2023-06-27 | — | — | CN | disclosed |