Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7734451 | 0.81 | TLR8 (0.48) | ALDH1A1NPSR1TYRTNFCNR1 | |
| SCHEMBL1039006 | 0.80 | ALDH1A1 (0.55) | ALDH1A1NPSR1TYRTNFCNR1 | |
| SCHEMBL8171070 | 0.80 | ALDH1A1 (0.42) | ALDH1A1NPSR1TYRCNR1CNR2 | |
| SCHEMBL23133827 | 0.79 | TNF (0.38) | ALDH1A1NPSR1TNFL3MBTL1KMT2A | |
| SCHEMBL8160720 | 0.78 | TNF (0.41) | ALDH1A1NPSR1TNFCNR1CNR2 | |
| SCHEMBL4678654 | 0.77 | TLR8 (0.47) | ALDH1A1NPSR1GRM2TDP1L3MBTL1 | |
| SCHEMBL171187 | 0.76 | GRM2 (0.54) | ALDH1A1NPSR1TYRGRM2LMNA | |
| SCHEMBL9453852 | 0.76 | ALDH1A1 (0.54) | ALDH1A1NPSR1TYRCNR1CNR2 | |
| SCHEMBL4682410 | 0.75 | TLR8 (0.46) | ALDH1A1NPSR1CNR1CNR2GRM2 | |
| SCHEMBL4683238 | 0.75 | TLR8 (0.46) | ALDH1A1NPSR1CNR1CNR2GRM2 |
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-2134708-B1 | 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES | ORTHO MCNEIL JANSSEN PHARM (US) | 2011-05-11 | — | — | EP | disclosed |
| WO-2008107479-A1 | 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2008-09-12 | — | — | WO | disclosed |