Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7353916 | 0.87 | AKR1B1 (0.37) | AKR1B1KMT2AMEN1ALDH1A1CYP1A2 | |
| SCHEMBL11096016 | 0.84 | AKR1B1 (0.41) | AKR1B1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL11833977 | 0.83 | FFAR1 (0.31) | KMT2AMEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL11833952 | 0.78 | L3MBTL1 (0.35) | KMT2AMEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL11829731 | 0.77 | FFAR1 (0.34) | KMT2AMEN1CCR1 | |
| SCHEMBL11821645 | 0.74 | PPARG (0.38) | CYP1A2KDM4E | |
| SCHEMBL11818689 | 0.74 | EPHX2 (0.36) | KMT2AMEN1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL11823090 | 0.72 | MEN1 (0.31) | AKR1B1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL11818684 | 0.72 | NLRP3 (0.43) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL11097563 | 0.72 | FFAR1 (0.38) | AKR1B1KMT2AALDH1A1CYP1A2 |
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-3979444-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES | THE UPJOHN COMPANY (US) | 1976-09-07 | — | — | US | disclosed |