Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6641855 | 0.84 | CYP1A2 (0.39) | NPC1HTTRAB9ASMN1; SMN2MAPT | |
| SCHEMBL5662430 | 0.82 | KDM4E (0.46) | NPC1HTTRAB9ASMN1; SMN2MAPT | |
| SCHEMBL7726271 | 0.76 | ALDH1A1 (0.43) | NPC1HTTRAB9ASMN1; SMN2MAPT | |
| SCHEMBL6503781 | 0.73 | SLC6A2 (0.56) | MAPTSLC6A3CHRM3KDM4EALDH1A1 | |
| SCHEMBL6503784 | 0.73 | SLC6A2 (0.56) | MAPTSLC6A3CHRM3KDM4EALDH1A1 | |
| SCHEMBL8946084 | 0.71 | GAA (0.48) | HTTRAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL14514642 | 0.69 | PTGER1 (0.45) | HTTSLC6A3CYP2C9KDM4EKMT2A | |
| SCHEMBL17318391 | 0.68 | ALDH1A1 (0.49) | SMN1; SMN2MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL13015660 | 0.67 | KIF11 (0.52) | RAB9ACYP1A2CYP2C9PDK1PDK2 | |
| SCHEMBL2107755 | 0.67 | ALOX5 (0.43) | MAPTSLC6A3CHRM3KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |