Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5501281 | 0.80 | TSHR (0.35) | CA1CA2CA4 | |
| SCHEMBL9090209 | 0.80 | CA1 (0.34) | CA1CA2CA4CES2CES1 | |
| SCHEMBL3939411 | 0.79 | CA1 (0.45) | CA1CA2CA4CES2CES1 | |
| SCHEMBL7513583 | 0.76 | — | — | |
| SCHEMBL8740970 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL5506097 | 0.73 | CA1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL3694281 | 0.73 | CA1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL30417635 | 0.73 | CA1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL8925570 | 0.72 | CA1 (0.32) | CA1CA2CA4 | |
| SCHEMBL8013023 | 0.71 | CA1 (0.38) | CA1CA2CA4CES2CES1 |
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-0823413-B1 | Intermediates for the preparation of benzoheterocyclic compounds | OTSUKA PHARMA CO LTD (JP) | 2002-02-13 | — | — | EP | claimed |
| EP-0319906-A2 | Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them | Dainippon Pharmaceutical Co., Ltd. (JP) | 1989-06-14 | — | — | EP | disclosed |