Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL13057633 | 0.85 | BCL2L1 (0.56) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL16479443 | 0.84 | CA12 (0.58) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL2635623 | 0.84 | LMNA (0.51) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL4395647 | 0.83 | LMNA (0.55) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL30299154 | 0.83 | BCL2L1 (0.53) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL2805615 | 0.83 | BCL2L1 (0.53) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL2932838 | 0.83 | BCL2L1 (0.53) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL3771693 | 0.82 | BCL2L1 (0.56) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL16474353 | 0.82 | BCL2L1 (0.52) | BCL2L1CA12CA1CA2CA7 | |
| SCHEMBL163865 | 0.81 | CA12 (0.57) | BCL2L1CA12CA1CA2CA7 |
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-115151551-B | Macrocyclic indole derivatives as MCL-1 inhibitors | 詹森药业有限公司 | 2024-10-25 | — | — | CN | disclosed |
| EP-4107161-A1 | MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 | Janssen Pharmaceutica NV (BE) | 2022-12-28 | — | — | EP | disclosed |