Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22012933 | 1.00 | CA1 (0.48) | CA1CA2SIRT5NPC1RAB9A | |
| SCHEMBL5045331 | 0.86 | CTSK (0.48) | NPC1RAB9AHDAC4HDAC1HDAC3 | |
| SCHEMBL24103855 | 0.85 | AAK1 (0.45) | NPC1RAB9AHDAC4HDAC1HDAC3 | |
| SCHEMBL22013869 | 0.82 | CA1 (0.44) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL23838035 | 0.82 | CA1 (0.44) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL23827435 | 0.80 | SUCNR1 (0.43) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL23827436 | 0.80 | SUCNR1 (0.43) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL29101054 | 0.80 | TDP1 (0.43) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL29101055 | 0.80 | TDP1 (0.43) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL29101097 | 0.80 | SUCNR1 (0.43) | CA1CA2SIRT5HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882246-A1 | MONOBACTAM COMPOUNDS AND USE THEREFOR | Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020098635-A1 | MONOBACTAM COMPOUNDS AND USE THEREFOR | 南京圣和药业股份有限公司 | 2020-05-22 | — | — | WO | disclosed |