Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NSD1 | Q96L73 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19782548 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL30189685 | 0.84 | NPC1 (0.34) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL19783154 | 0.84 | NPC1 (0.34) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL7998251 | 0.78 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL19899925 | 0.77 | CYP2C9 (0.43) | CYP3A4CYP1A2CYP2C19HSD17B10MAPT | |
| SCHEMBL11363181 | 0.76 | HSD17B10 (0.64) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL9722840 | 0.76 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL10971640 | 0.76 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL30189983 | 0.75 | ALDH1A1 (0.53) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 | |
| SCHEMBL30189939 | 0.75 | ALDH1A1 (0.62) | CYP3A4CYP1A2CYP2C19TDP1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |