Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.66 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.66 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9108544 | 0.80 | ADORA3 (0.66) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL11332250 | 0.80 | ADORA3 (0.66) | ADORA3ADORA2AADORA2BADORA1MEN1 | |
| SCHEMBL20390644 | 0.80 | ADORA3 (0.66) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL20390138 | 0.80 | ADORA3 (0.66) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL16238754 | 0.80 | ADORA3 (0.66) | ADORA3ADORA2AADORA2BADORA1RAB9A | |
| SCHEMBL9852130 | 0.79 | NPC1 (0.58) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL13659745 | 0.79 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL69810 | 0.79 | ADORA3 (1.00) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL1219538 | 0.79 | NPC1 (0.53) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL11327119 | 0.78 | ADORA2A (0.62) | ADORA3ADORA2AADORA2BADORA1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0455356-A1 | Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity | LILLY INDUSTRIES LIMITED (GB) | 1991-11-06 | — | — | EP | disclosed |
| US-4259236-A | COLORFAST RED SHADES ON POLYESTERS | CIBA-GEIGY CORPORATION (US) | 1981-03-31 | — | — | US | disclosed |
| US-4233214-A | FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | US | disclosed |
| US-4036826-A | Cationic azo dyestuffs with a hydroxyalkylated ammonium group | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |