Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 4/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28765654 | 0.82 | CYP4F2 (0.39) | CHRNA7NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27667112 | 0.81 | MAPT (0.47) | CHRNA7MAP4K4GRIN2BGRIN1IKBKB | |
| SCHEMBL27686155 | 0.77 | CHRNA7 (0.46) | CHRNA7GRIN2BGRIN1IKBKBEGLN1 | |
| SCHEMBL27686102 | 0.76 | MAPT (0.39) | CHRNA7MAP4K4GRIN2BGRIN1PDGFRB | |
| SCHEMBL28765670 | 0.69 | CYP11B1 (0.41) | — | |
| SCHEMBL28736437 | 0.68 | MAP4K4 (0.47) | CHRNA7MAP4K4GRIN2BGRIN1IKBKB | |
| SCHEMBL22083773 | 0.67 | HSD17B10 (0.63) | RAB9ASMN1; SMN2 | |
| SCHEMBL4940831 | 0.66 | SSTR4 (0.40) | HDAC1HDAC2PIK3CA | |
| SCHEMBL28772992 | 0.66 | CYP17A1 (0.40) | MAP4K4FYNNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27803399 | 0.66 | PTGS1 (0.41) | NPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1976915-A | HIV integrase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-06-06 | — | — | CN | disclosed |