Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096047 | 0.88 | HMGCR (0.49) | TPMTCA1CA2CA12CA7 | |
| SCHEMBL9549933 | 0.86 | PTGS2 (0.46) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL10912885 | 0.85 | KDM4E (0.44) | TPMTPTGS2CA1CA2CA12 | |
| SCHEMBL9774171 | 0.85 | TPMT (0.55) | TPMTPTGS2CA1CA2CA12 | |
| SCHEMBL9381331 | 0.81 | ALDH1A1 (0.56) | TPMTMAPK1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL13888143 | 0.79 | TDP1 (0.50) | TPMTPTGS2CA1CA2CA12 | |
| SCHEMBL5586775 | 0.77 | PTGS2 (0.43) | TPMTPTGS2CA1CA2CA12 | |
| Hydrochloric Acid SCHEMBL9876725 | 0.77 | TDP1 (0.49) | TPMTPTGS2CA1CA2CA12 | |
| SCHEMBL2646567 | 0.77 | HSD17B10 (0.46) | TPMTPTGS2CA1CA2CA12 | |
| SCHEMBL9507211 | 0.77 | PTGS2 (0.56) | PTGS2CA1CA2CA9ALDH1A1 |
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 |