Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9549980 | 0.86 | TPMT (0.46) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL9876723 | 0.81 | KDM4E (0.44) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL9549964 | 0.79 | TSHR (0.51) | CA1CA2ALDH1A1KMT2A | |
| SCHEMBL9507211 | 0.77 | PTGS2 (0.56) | PTGS2CA1CA2CA9CYP3A4 | |
| SCHEMBL986734 | 0.76 | ALDH1A1 (0.41) | PTGS2KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL7096047 | 0.75 | HMGCR (0.49) | CA1CA2CA12CA9MAPK1 | |
| SCHEMBL10912885 | 0.75 | KDM4E (0.44) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL11519264 | 0.74 | PTGS2 (0.48) | PTGS2CYP3A4TAAR1MEN1ALDH1A1 | |
| SCHEMBL11520794 | 0.73 | TDP1 (0.47) | CA1CA2CA12CA9CYP3A4 | |
| SCHEMBL677238 | 0.73 | MAPT (0.42) | CA1CA2CYP3A4KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5240957-A | Dopaminergic agent | ASTRA LAKEMEDEL AKTEIBOLAG (SE) | 1993-08-31 | — | — | US | disclosed |
| EP-0156776-A1 | Derivatives of N-(2-pyrrolidinylmethyl)-benzamide, process for their preparation, intermediates and a pharmaceutical preparation | Astra Läkemedel Aktiebolag (SE) | 1985-10-02 | — | — | EP | disclosed |