Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1043011 | 0.97 | CA12 (0.35) | CA12CA1CA2CA7CA13 | |
| SCHEMBL31110619 | 0.81 | CA1 (0.32) | CA1CA2KDM1AKCNH2KDM1B | |
| SCHEMBL4601309 | 0.77 | CA12 (0.33) | CA12CA1CA2CA7CA13 | |
| SCHEMBL21218726 | 0.77 | AKR1B1 (0.34) | KDM1AKCNH2KDM1B | |
| SCHEMBL11884949 | 0.77 | APEX1 (0.38) | CA12CA1CA2CA7CA13 | |
| SCHEMBL7592418 | 0.74 | SOS1 (0.38) | — | |
| Bromide SCHEMBL8559956 | 0.74 | CA1 (0.39) | CA12CA1CA2CA7CA13 | |
| SCHEMBL7702552 | 0.73 | CA1 (0.43) | CA12CA1CA2CA7CA13 | |
| SCHEMBL41646 | 0.73 | CA1 (0.43) | CA12CA1CA2CA7CA13 | |
| SCHEMBL25200672 | 0.72 | CYP3A4 (0.38) | CA12CA1CA2CA7CA13 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3750885-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2020-12-16 | — | — | EP | disclosed |