Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10412422 | 0.78 | HDAC1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9331716 | 0.78 | HDAC1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16382705 | 0.77 | HDAC3 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28607205 | 0.77 | HDAC3 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26246354 | 0.76 | MAPT (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28541644 | 0.75 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8852985 | 0.74 | TTR (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8852995 | 0.74 | TTR (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28344842 | 0.71 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28833725 | 0.68 | DPP4 (0.40) | CA12CA1CA2CA7CA9 |
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-107787322-B | Tricyclic compounds and their use as phosphodiesterase inhibitors | 辉瑞大药厂 | 2023-07-07 | — | — | CN | disclosed |
| CN-113646050-A | Thieno [3,2-B ] pyrrolo [3,2-D ] pyridazinone derivatives and their use as PKM2 derivatives for the treatment of cancer, obesity and diabetes related disorders | 安吉奥斯医药品有限公司 | 2021-11-12 | — | — | CN | disclosed |