Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891745 | 0.93 | RCE1 (0.42) | ABCB1SLC6A4SLC6A2HRH1RCE1 | |
| SCHEMBL27891739 | 0.84 | ABCB1 (0.41) | ABCB1SLC6A4SLC6A2HRH1SMN1; SMN2 | |
| SCHEMBL27891766 | 0.84 | ABCB1 (0.46) | ABCB1SLC6A4SLC6A2HRH1SMN1; SMN2 | |
| SCHEMBL27908739 | 0.79 | SLC6A4 (0.43) | ABCB1SLC6A4SLC6A2HRH1RCE1 | |
| SCHEMBL27908738 | 0.78 | ABCB1 (0.42) | ABCB1SLC6A4SLC6A2HRH1SMN1; SMN2 | |
| SCHEMBL27891749 | 0.77 | KMT2A (0.42) | SMN1; SMN2KDM4EHSD17B10NPC1POLB | |
| SCHEMBL28374231 | 0.73 | CXCR4 (0.40) | ABCB1RCE1ALKBH5FTO | |
| SCHEMBL28379342 | 0.72 | CXCR4 (0.40) | SLC6A4SLC6A2HRH1RCE1ALKBH5 | |
| SCHEMBL27891741 | 0.71 | RCE1 (0.41) | SLC6A4SLC6A2HRH1RCE1SMN1; SMN2 | |
| SCHEMBL27979712 | 0.68 | ALKBH5 (0.49) | KDM4EALDH1A1HSD17B10GAATOP2A |
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-102146080-B | Beta-carboline alkali derivative compounds and application thereof | XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD | 2013-01-30 | — | — | CN | disclosed |