Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | PRKACA | P17612 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11365792 | 0.86 | NPC1 (0.44) | ADORA2AHSP90AA1AURKAPRKACAF12 | |
| SCHEMBL11378790 | 0.85 | HSP90AA1 (0.61) | HSP90AA1PRKACALIMK1HSP90AB1PTK2 | |
| SCHEMBL11372513 | 0.83 | CYP1A2 (0.50) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL11372790 | 0.83 | MAPT (0.45) | MEN1RAB9AKMT2AMAP4K4MINK1 | |
| SCHEMBL11366689 | 0.81 | MAP4K4 (0.64) | BACE1MAP4K4 | |
| SCHEMBL22715361 | 0.81 | MAP4K4 (0.45) | MAP4K4MINK1TNIK | |
| SCHEMBL22744393 | 0.81 | KMO (0.49) | RAB9AMAP4K4 | |
| SCHEMBL15161491 | 0.81 | MAP4K4 (0.66) | MEN1KMT2AMAP4K4MINK1TNIK | |
| SCHEMBL11373116 | 0.81 | KDM4E (0.52) | HSP90AA1F12PLAUNCF1NOS3 | |
| SCHEMBL11369024 | 0.80 | NOS3 (0.41) | ADORA2AHSP90AA1F12PLAUNCF1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260759-A | CONDENSATION OF NITRILES | SCHERING-CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4115395-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4107166-A | ANTIFUNGAL, ANTIBACTERIAL | SCHERING CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4017500-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |