Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.32 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.32 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3586688 | 0.92 | ALDH1A1 (0.36) | ALDH1A1HSD11B1GRM5GPBAR1P2RX3 | |
| SCHEMBL13168051 | 0.91 | ALDH1A1 (0.37) | ALDH1A1HSD11B1GRM5GPBAR1P2RX3 | |
| SCHEMBL15181965 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HSD11B1GPBAR1P2RX3CNR1 | |
| SCHEMBL3593936 | 0.88 | ALDH1A1 (0.35) | ALDH1A1HSD11B1GRM5GPBAR1P2RX3 | |
| SCHEMBL3595312 | 0.86 | CHRNA7 (0.39) | ALDH1A1 | |
| SCHEMBL3585046 | 0.86 | MDM2 (0.38) | ALDH1A1CNR1CNR2MEN1CYP2C9 | |
| SCHEMBL3579493 | 0.85 | PKM (0.39) | ALDH1A1GPBAR1P2RX3SMN1; SMN2MEN1 | |
| SCHEMBL3580505 | 0.84 | RECQL (0.43) | ALDH1A1GRM5SMN1; SMN2MEN1CYP2C9 | |
| SCHEMBL3597651 | 0.82 | CACNA1D (0.42) | ALDH1A1GPBAR1P2RX3SMN1; SMN2CYP2C9 | |
| SCHEMBL3598128 | 0.81 | MEN1 (0.40) | ALDH1A1GRM5SMN1; SMN2MEN1KMT2A |
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-8431607-B2 | Compounds and compositions as inhibitors of cannabinoid receptor 1 activity | IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) | 2013-04-30 | — | — | US | disclosed |