Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | PNP | P00491 | 3/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2719810 | 0.77 | KDM4E (0.50) | PIK3CDPIK3CBADORA3ADORA1PNP | |
| SCHEMBL11376008 | 0.76 | ROCK1 (0.41) | ADORA1ALDH1A1ADORA2A | |
| SCHEMBL11372762 | 0.74 | PNP (0.37) | ADORA3ADORA1PNPADORA2AADORA2B | |
| SCHEMBL11364912 | 0.72 | KDM4E (0.59) | ADORA1KDM4EALDH1A1LMNAADORA2A | |
| SCHEMBL11374236 | 0.72 | PARP1 (0.45) | ADORA1LMNAADORA2AADORA2B | |
| SCHEMBL11370503 | 0.71 | TLR8 (0.46) | HTR6LMNATAAR1 | |
| SCHEMBL11365568 | 0.71 | MPO (0.42) | ADORA1PNPLMNATAAR1 | |
| SCHEMBL9539329 | 0.71 | PIK3CD (0.43) | PIK3CDPIK3CBADORA3ADORA1PNP | |
| SCHEMBL11366326 | 0.71 | TLR7 (0.43) | — | |
| SCHEMBL11368123 | 0.71 | HSP90AB1 (0.46) | ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4017500-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1977-04-12 | — | — | US | claimed |
| 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 |