Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF18A | Q8NI77 | 3/20 | 0.41 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1808385 | 0.82 | TYK2 (0.36) | KIF18AALDH1A1HSD17B10USP2HPGD | |
| SCHEMBL1813506 | 0.74 | KDM4E (0.46) | KIF18ANAPEPLDHDAC4ALDH1A1HSD17B10 | |
| SCHEMBL25272328 | 0.73 | KIF18A (0.38) | KIF18ANAPEPLDHDAC4RAF1BRAF | |
| SCHEMBL12075887 | 0.71 | KIF18A (0.51) | KIF18ANAPEPLDHDAC4RAF1BRAF | |
| SCHEMBL14896890 | 0.70 | HTR3E (0.51) | KIF18AALDH1A1 | |
| SCHEMBL30080407 | 0.70 | CRBN (0.52) | KIF18ANAPEPLDKCNQ3KCNQ2ALDH1A1 | |
| SCHEMBL15999329 | 0.70 | KIF18A (0.36) | KIF18ANAPEPLDALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL69183 | 0.69 | CLK1 (0.36) | ALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL16535224 | 0.68 | PIM1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL550049 | 0.68 | CYP3A4 (0.39) | ALDH1A1CYP3A4CYP2D6HPGDTSHR |
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-2011059839-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |