Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.38 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL11246798 | 0.99 | PTGS2 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11244137 | 0.99 | PTGS2 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11256206 | 0.99 | PTGS2 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11241245 | 0.96 | PTGS2 (0.41) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11244321 | 0.90 | ALDH1A1 (0.39) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11293537 | 0.88 | NPC1 (0.47) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11249078 | 0.83 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1NPSR1GLA | |
| SCHEMBL11250213 | 0.81 | ALDH1A1 (0.39) | NPC1RAB9APAX8ALDH1A1GLA | |
| SCHEMBL11274274 | 0.78 | NPC1 (0.43) | PTGS2NPC1JAK2RAB9APAX8 | |
| SCHEMBL11272871 | 0.78 | NPC1 (0.43) | PTGS2NPC1JAK2RAB9APAX8 |
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 |