Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL6838954 | 0.88 | F10 (0.37) | KCNH2 | |
| SCHEMBL6832689 | 0.87 | CTSK (0.38) | NPC1RAB9AKMT2AKCNH2 | |
| SCHEMBL6832156 | 0.86 | HDAC3 (0.42) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL6832876 | 0.85 | GHSR (0.37) | — | |
| SCHEMBL6833095 | 0.83 | PYGL (0.42) | PDGFRBFLT3 | |
| SCHEMBL6833096 | 0.83 | KMT2A (0.47) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL7070887 | 0.82 | PYGL (0.42) | HDAC1HDAC2 | |
| SCHEMBL5255542 | 0.81 | KMT2A (0.55) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL6833075 | 0.81 | F10 (0.32) | NPC1RAB9AKMT2A | |
| SCHEMBL5254895 | 0.80 | NPC1 (0.45) | NPC1RAB9AKMT2AMEN1KDM4E |
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-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |