Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | CCR9 | P51686 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7019042 | 0.89 | KAT2B (0.46) | NPC1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL7013283 | 0.88 | HTT (0.40) | ALDH1A1LMNAMAPTHTTVNN1 | |
| SCHEMBL7018851 | 0.86 | PPARG (0.41) | NPC1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL7015497 | 0.80 | MAPT (0.42) | ALDH1A1LMNAMAPTRAB9ASRD5A2 | |
| SCHEMBL7018161 | 0.80 | CCR2 (0.39) | NPC1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL7012328 | 0.77 | ALDH1A1 (0.43) | NPC1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL7020546 | 0.74 | MAPT (0.41) | ALDH1A1LMNAMAPTHTTHDAC1 | |
| SCHEMBL7015600 | 0.74 | MAPT (0.43) | LMNAMAPT | |
| SCHEMBL7017131 | 0.70 | CYP19A1 (0.44) | NPC1MAPTRAB9ANPBWR1VNN1 | |
| SCHEMBL7008568 | 0.68 | PKM (0.41) | ALDH1A1LMNAMAPTHTTNPBWR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |