Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5572358 | 0.74 | MAOB (0.46) | MAOBCYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL6745723 | 0.74 | MAOB (0.46) | MAOBCYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL9578553 | 0.71 | MAPK1 (0.39) | MAPK1CES1KCNN4HTTTAAR1 | |
| SCHEMBL3723944 | 0.71 | CES1 (0.42) | CYP2C19MAPK1CES1KCNN4ALDH1A1 | |
| SCHEMBL315315 | 0.70 | MAOB (0.52) | MAOBCYP1A2TP53CA1CA2 | |
| SCHEMBL7776201 | 0.68 | MAPK1 (0.37) | MAPK1CES1KCNN4HTTTAAR1 | |
| Phenylacetaldehyde SCHEMBL28634753 | 0.68 | MAOB (0.44) | MAOBCYP1A2CYP2C9CYP2C19LTA4H | |
| SCHEMBL29274189 | 0.68 | MAOB (0.45) | MAOBCYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL23524584 | 0.66 | MAOB (0.52) | MAOBTP53CA1CA2ARG2 | |
| SCHEMBL5088767 | 0.66 | SLC6A2 (0.50) | CYP1A2CYP2C9CYP2C19LTA4HTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-4952598-A | CALCIUM ANTAGONISTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | claimed |