Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 6/20 | 0.51 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25252706 | 1.00 | VCAM1 (0.51) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL29196115 | 0.82 | GAA (0.56) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL30741188 | 0.82 | GAA (0.56) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL25214451 | 0.82 | CA2 (0.62) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL30460130 | 0.82 | CA2 (0.62) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL17106 | 0.80 | ATM (0.58) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL377111 | 0.80 | VCAM1 (0.73) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL29196111 | 0.78 | VCAM1 (0.47) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL282282 | 0.78 | CA1 (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7754095 | 0.77 | VCAM1 (0.50) | VCAM1CA1CA2CA12CA9 |
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-112661751-B | Heterocyclic compounds as BCL-2 inhibitors | 南京天印健华医药科技有限公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-116419753-A | Heterocyclic compounds as BCL-2 inhibitors | 北京诺诚健华医药科技有限公司 | 2023-07-11 | — | — | CN | disclosed |