Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11245322 | 0.81 | ALDH1A1 (0.46) | NPSR1ADORA2AADORA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11468308 | 0.80 | CYP1A2 (0.37) | ALDH1A1SMN1; SMN2LMNAKDM4EGAA | |
| SCHEMBL11268851 | 0.79 | SMN1; SMN2 (0.53) | NPSR1ADORA2AADORA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11479881 | 0.78 | TP53 (0.43) | NPSR1ALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL31582461 | 0.78 | ALDH1A1 (0.49) | NPSR1ADORA2AADORA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11478566 | 0.77 | CASR (0.36) | NPSR1ALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL28303870 | 0.76 | ADORA2A (0.52) | NPSR1ADORA2AADORA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11273639 | 0.75 | GPR84 (0.49) | NPSR1ADORA2AADORA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11231697 | 0.75 | KDM4E (0.39) | NPSR1ADORA2AADORA1ALDH1A1LMNA | |
| SCHEMBL11273008 | 0.74 | ADORA2A (0.50) | NPSR1ADORA2AADORA1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |