Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30080019 | 0.80 | DAO (0.44) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL28515776 | 0.80 | DAO (0.44) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL30079983 | 0.78 | LMNA (0.38) | APPMAOBLMNAMMP13TSHR | |
| SCHEMBL10687383 | 0.72 | APP (0.58) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL22208974 | 0.69 | IDO1 (0.46) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL28522875 | 0.68 | APP (0.45) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL9507201 | 0.68 | APP (0.46) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL15211340 | 0.68 | MAOB (0.45) | APPDAOMAOBLMNAMMP13 | |
| SCHEMBL12454620 | 0.68 | LMNA (0.50) | APPLMNAMMP13TSHRALDH1A1 | |
| SCHEMBL19297784 | 0.67 | APP (0.49) | APPDAOMAOBLMNAMMP13 |
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-112204036-B | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-112204036-A | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2021-01-08 | — | — | CN | disclosed |