Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247829 | 0.96 | PTGS2 (0.42) | PTGS2ALDH1A1NPSR1NPC1JAK2 | |
| SCHEMBL11244137 | 0.94 | PTGS2 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11246798 | 0.94 | PTGS2 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11256206 | 0.94 | PTGS2 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11244321 | 0.91 | ALDH1A1 (0.39) | PTGS2ALDH1A1NPSR1NPC1JAK2 | |
| SCHEMBL11249078 | 0.84 | ALDH1A1 (0.41) | ALDH1A1NPSR1NPC1RAB9AGLA | |
| SCHEMBL11293537 | 0.83 | NPC1 (0.47) | PTGS2ALDH1A1NPSR1NPC1JAK2 | |
| SCHEMBL11250213 | 0.82 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9APAX8GLA | |
| SCHEMBL11267616 | 0.79 | TP53 (0.45) | PTGS2ALDH1A1NPSR1NPC1JAK2 | |
| SCHEMBL11241076 | 0.78 | SMN1; SMN2 (0.36) | ALDH1A1NPSR1NPC1RAB9AGLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4311648-A | VULCANIZATION INHIBITION | MONSANTO COMPANY (US) | 1982-01-19 | — | — | US | disclosed |
| US-4291141-A | INHIBITORS OF PREMATURE VULCANIZATION OF DIENES | MONSANTO COMPANY (US) | 1981-09-22 | — | — | US | disclosed |