Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | TPMT | P51580 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | KMO | O15229 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.55 |
| ▸ | WNT3A | P56704 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11146096 | 0.86 | MAPT (0.57) | CA12CA1CA2CA4CA6 | |
| SCHEMBL5861195 | 0.84 | CA12 (0.57) | CA12CA1CA2CA4CA6 | |
| SCHEMBL11108485 | 0.83 | ALDH1A1 (0.51) | TPMTKMOALDH1A1MEN1KMT2A | |
| SCHEMBL11045658 | 0.82 | PDE4D (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL29555877 | 0.82 | PDE4D (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10780575 | 0.79 | L3MBTL1 (0.58) | CA1CA2KMOMAPTCYP1A2 | |
| SCHEMBL10919263 | 0.79 | CA12 (0.50) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10455919 | 0.78 | CTNNB1 (0.83) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1659363 | 0.78 | MAPT (0.71) | CA12CA1CA2CA4CA6 | |
| SCHEMBL11106162 | 0.78 | CYP3A4 (0.47) | KMOCYP3A4MEN1KMT2ALDHA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4402978-A | Gastro-protecting activity of substituted derivatives of 4-phenyl-4-oxo-2-hydroxy-butanoic acid | ROUSSEL-UCLAF (FR) | 1983-09-06 | — | — | US | claimed |
| US-4483868-A | ANTIULCER AGENTS ANTISECRETORY AGENTS | ROUSSEL UCLAF (FR) | 1984-11-20 | — | — | US | disclosed |
| US-4402978-A | Gastro-protecting activity of substituted derivatives of 4-phenyl-4-oxo-2-hydroxy-butanoic acid | ROUSSEL-UCLAF (FR) | 1983-09-06 | — | — | US | disclosed |