Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28332421 | 0.65 | TSHR (0.39) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL360446 | 0.62 | TSHR (0.40) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL4553516 | 0.61 | ALDH1A1 (0.37) | LMNAALDH1A1GAAMAPTPOLB | |
| SCHEMBL360407 | 0.61 | TSHR (0.39) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL10995254 | 0.60 | TSHR (0.56) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL1684895 | 0.60 | — | — | |
| SCHEMBL10985089 | 0.60 | ALDH1A1 (0.72) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL4283831 | 0.60 | — | — | |
| SCHEMBL31503973 | 0.60 | TSHR (0.50) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL17420841 | 0.60 | TSHR (0.65) | TSHRLMNAALDH1A1GAAMAPT |
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 |