Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.60 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | NQO2 | P16083 | 2/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7397515 | 0.90 | CYP19A1 (0.50) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL7510755 | 0.87 | MAOB (0.67) | CYP19A1CYP11B2MAOBMAOAALDH1A1 | |
| SCHEMBL31660769 | 0.80 | CYP19A1 (0.57) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL31660822 | 0.79 | NQO2 (0.62) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL4688774 | 0.79 | CYP19A1 (0.56) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL4688568 | 0.79 | CYP19A1 (0.56) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL31028072 | 0.79 | CYP19A1 (0.56) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL4686065 | 0.79 | NQO2 (0.59) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL4686060 | 0.79 | NQO2 (0.59) | CYP19A1CYP11B2MAOBNQO2MTNR1A | |
| SCHEMBL7517262 | 0.79 | MIF (0.66) | CYP19A1ALDH1A1NPC1LMNARAB9A |
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-116940552-A | Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |