Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27794004 | 0.84 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTTP53HPGD | |
| SCHEMBL27775556 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTTP53HPGD | |
| SCHEMBL27815304 | 0.80 | HRH2 (0.36) | ALDH1A1MAPTHTTTP53HPGD | |
| SCHEMBL27815284 | 0.78 | HRH3 (0.51) | ALDH1A1MAPTHTTLMNATAAR1 | |
| SCHEMBL27498930 | 0.78 | GRIN2B (0.59) | GRIN2BACHEGRIN2DGRIN3BGRIN1 | |
| SCHEMBL27794012 | 0.77 | ALDH1A1 (0.33) | ALDH1A1MAPTHTTTP53HPGD | |
| SCHEMBL28788261 | 0.75 | TSHR (0.36) | ALDH1A1MAPTHTTTP53HPGD | |
| SCHEMBL27794008 | 0.74 | KMT2A (0.47) | ALDH1A1MAPTHTTTP53HPGD | |
| SCHEMBL27775630 | 0.73 | MAOB (0.42) | ALDH1A1MAPTHPGDMAOBHSD17B10 | |
| SCHEMBL27459025 | 0.72 | HPGD (0.33) | ALDH1A1MAPTHPGD |
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-101808988-A | Piperidine and piperazine derivatives | MERCK PATENT GMBH | 2010-08-18 | — | — | CN | claimed |