Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 5/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28745884 | 0.81 | TP53 (0.55) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrogen Peroxide SCHEMBL11520377 | 0.81 | TP53 (0.63) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL166894 | 0.81 | TP53 (0.61) | TP53BCL2TRPA1SIGMAR1MGLL | |
| SCHEMBL13462516 | 0.80 | ALDH1A1 (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10778632 | 0.78 | TAAR1 (0.50) | — | |
| SCHEMBL30698368 | 0.78 | TAAR1 (0.50) | — | |
| SCHEMBL18165002 | 0.78 | BCHE (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7048042 | 0.78 | TP53 (0.61) | TP53MGLLCYP1A2 | |
| SCHEMBL13181462 | 0.78 | HRH3 (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Benzene SCHEMBL9785236 | 0.78 | TP53 (0.67) | TP53BCL2TRPA1SIGMAR1MGLL |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998002403-A1 | METHOD FOR INHIBITING VINYL AROMATIC MONOMER POLYMERIZATION IN CONDENSER AND COMPRESSION SYSTEMS | BETZDEARBORN INC. (US) | 1998-01-22 | — | — | WO | disclosed |
| US-5396004-A | Diamine, hydroxylamine | BETZ LABORATORIES, INC. (US) | 1995-03-07 | — | — | US | disclosed |
| EP-0594341-A1 | Compositions and methods for inhibiting vinyl aromatic monomer polymerization | BETZ EUROPE, INC. (US) | 1994-04-27 | — | — | EP | disclosed |
| US-4840720-A | ADDING PHOSPHITE AND HYDROXYLAMINE INHIBITORS | BETZ LABORATORIES, INC. (US) | 1989-06-20 | — | — | US | disclosed |