Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.40 |
| ▸ | KDM6B | O15054 | 3/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.40 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KDM6A | O15550 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM4B | O94953 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4769045 | 0.86 | HDAC1 (0.48) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL4777383 | 0.84 | METAP1 (0.47) | HDAC1CYP3A4CYP2C9HIF1AHDAC6 | |
| SCHEMBL4774987 | 0.84 | ADORA2A (0.46) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL2238203 | 0.80 | HDAC1 (0.42) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL2240387 | 0.80 | HDAC1 (0.42) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL2238217 | 0.80 | HDAC1 (0.42) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL2235626 | 0.78 | HDAC1 (0.48) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL2240174 | 0.76 | CYP3A4 (0.42) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL11968349 | 0.76 | CYP3A4 (0.47) | HDAC1KDM6BCHRNA1MAOBOPRM1 | |
| SCHEMBL2240945 | 0.75 | GBA1 (0.54) | CYP3A4CYP2C9CYP2A6HIF1ASLC2A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |