Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL30605076 | 0.82 | ABCB1 (0.39) | ABCB1GABRA1GABRB1LMNAHTT | |
| SCHEMBL2303181 | 0.81 | ABCB1 (0.32) | ABCB1 | |
| SCHEMBL675878 | 0.76 | ROCK2 (0.52) | HPGDROCK2 | |
| SCHEMBL31384427 | 0.76 | ROCK2 (0.52) | HPGDROCK2 | |
| SCHEMBL28313775 | 0.75 | CA1 (0.45) | ABCB1GABRA1GABRB1LMNAHTT | |
| SCHEMBL17924597 | 0.75 | ABCB1 (0.35) | ABCB1GABRA1GABRB1LMNAHTT | |
| SCHEMBL629526 | 0.75 | ABCB1 (0.35) | ABCB1GABRA1GABRB1LMNAHTT | |
| SCHEMBL11327097 | 0.73 | HSP90AA1 (0.39) | ABCB1GABRA1HSP90AA1 | |
| SCHEMBL22655618 | 0.71 | ABCB1 (0.35) | ABCB1GABRA1GABRB1HSP90AA1 | |
| SCHEMBL28197074 | 0.70 | HSP90AA1 (0.37) | ABCB1HSP90AA1 |
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-107286150-B | N-heterocyclic compound, intermediate thereof, preparation method, pharmaceutical composition and application | 中国科学院上海有机化学研究所 | 2020-07-07 | — | — | CN | disclosed |