Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12018996 | 0.82 | HTT (1.00) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL2031143 | 0.80 | HTT (0.76) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL1530038 | 0.80 | HTT (0.76) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL4444107 | 0.79 | HTT (0.73) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL189224 | 0.79 | HTT (0.73) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL1327551 | 0.79 | HTT (0.73) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL6441147 | 0.79 | HTT (0.73) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL15893987 | 0.77 | HTT (0.77) | HTTALDH1A1NPSR1MAPTLMNA | |
| SCHEMBL11974036 | 0.77 | HTT (0.71) | HTTALDH1A1NPSR1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL4444103 | 0.77 | HTT (0.71) | HTTALDH1A1NPSR1MAPTLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101133037-B | Six-membered heterocyclic compound and use thereof | ASAHI KASEI PHARMA CORP | 2012-05-09 | — | — | CN | disclosed |
| CN-101133037-A | Six-membered heterocyclic compound and use thereof | ASAHI KASEI PHARMA CORP (JP) | 2008-02-27 | — | — | CN | disclosed |