Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.44 |
| ▸ | BAD | Q92934 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29892048 | 0.85 | MAOA (0.56) | CA2CA1CA6CA4PARP1 | |
| SCHEMBL28548846 | 0.85 | MAOA (0.56) | CA2CA1CA6CA4PARP1 | |
| SCHEMBL58474 | 0.84 | PNMT (0.58) | CA2CA1CA6CA4PARP1 | |
| SCHEMBL28543945 | 0.80 | CA1 (0.45) | CA2CA1CA6CA4PARP1 | |
| Phenol SCHEMBL29142512 | 0.77 | PNMT (0.51) | CA2CA1CA6CA4BCL2L1 | |
| Dimethylamine SCHEMBL15440644 | 0.77 | NPC1 (0.53) | CA2CA1CA6CA4BCL2L1 | |
| SCHEMBL21547756 | 0.76 | BCL2L1 (0.40) | CA2CA1CA6CA4PARP1 | |
| SCHEMBL6905223 | 0.76 | BCL2L1 (0.54) | CA2CA1CA6CA4BCL2L1 | |
| SCHEMBL8871242 | 0.74 | CYP19A1 (0.49) | CA2CA1CA6CA4PARP1 | |
| SCHEMBL9194184 | 0.73 | CYP19A1 (0.44) | CA2CA1CA6CA4PARP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118076602-A | Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses | 嘉兴优博生物技术有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117916215-A | Indene compound, pharmaceutical composition thereof and therapeutic application thereof | 藤济(厦门)生物医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117203196-A | PDE4 degrading agents, pharmaceutical compositions and therapeutic applications | 拜欧斯瑞克斯公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116472034-A | Indene compound, pharmaceutical composition thereof and therapeutic application thereof | 藤济(厦门)生物医药科技有限公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-116234546-A | GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases | 嘉兴优博生物技术有限公司 | 2023-06-06 | — | — | CN | disclosed |