Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.74 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.74 |
| ▸ | TSHR | P16473 | 4/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | GBA1 | P04062 | 8/20 | 0.67 |
| ▸ | PDE5A | O76074 | 6/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | USP2 | O75604 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL19286340 | 0.89 | KDM4E (0.67) | TSHRALDH1A1HPGDGBA1PDE5A | |
| SCHEMBL15289677 | 0.88 | TSHR (0.77) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL7278041 | 0.81 | GBA1 (0.71) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL7276945 | 0.81 | CYP1A2 (0.80) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL18354098 | 0.80 | GBA1 (1.00) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL7286130 | 0.80 | PDE5A (1.00) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL20273653 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL29416496 | 0.79 | ALDH1A1 (0.78) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL7277274 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP3A4CLK4TSHRALDH1A1 | |
| SCHEMBL20710514 | 0.79 | CYP1A2 (0.72) | CYP1A2CYP3A4CLK4TSHRALDH1A1 |
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-9744171-B2 | Positive allosteric modulators for melanocortin receptors | VANDERBILT UNIVERSITY (US) | 2017-08-29 | — | — | US | disclosed |