Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL245171 | 0.69 | SCD (0.67) | RAB9ASMN1; SMN2KDM4ENPC1POLB | |
| SCHEMBL3046881 | 0.69 | KDM4E (0.50) | RAB9ASMN1; SMN2KDM4ENPC1POLB | |
| SCHEMBL4285011 | 0.66 | RAB9A (0.71) | RAB9ASMN1; SMN2KDM4ENPC1POLB | |
| SCHEMBL2069278 | 0.64 | RAB9A (1.00) | RAB9ASMN1; SMN2KDM4ENPC1POLB | |
| SCHEMBL243392 | 0.64 | SCD (0.78) | SMN1; SMN2NPC1SCDPIK3CDPIK3CA | |
| SCHEMBL243393 | 0.64 | SCD (0.78) | SMN1; SMN2NPC1SCDPIK3CDPIK3CA | |
| SCHEMBL346319 | 0.62 | SCD (0.55) | SCDMEN1KMT2A | |
| SCHEMBL348843 | 0.62 | SCD (0.55) | SCDMEN1KMT2A | |
| SCHEMBL346318 | 0.62 | SCD (0.55) | SCDMEN1KMT2A | |
| SCHEMBL347468 | 0.62 | SCD (0.54) | POLBALDH1A1SCDHPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008074835-A1 | 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS | NOVARTIS AG (CH) | 2008-06-26 | — | — | WO | disclosed |