Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30873483 | 0.74 | NQO2 (0.52) | NQO2CES2CES1RAB9ANPC1 | |
| SCHEMBL9682563 | 0.73 | CYP1A1 (0.41) | NQO2CYP1A2 | |
| SCHEMBL9682565 | 0.73 | CYP1A1 (0.41) | NQO2CYP1A2 | |
| SCHEMBL9364332 | 0.72 | MAPT (0.51) | NQO2RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL9724966 | 0.72 | ALDH1A1 (0.44) | NQO2CES2CES1RAB9ANPC1 | |
| SCHEMBL9682661 | 0.72 | ALDH1A1 (0.44) | NQO2CES2CES1RAB9ANPC1 | |
| SCHEMBL3720477 | 0.72 | MAPT (0.51) | NQO2RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL9682656 | 0.72 | ALDH1A1 (0.44) | NQO2CES2CES1RAB9ANPC1 | |
| SCHEMBL3720479 | 0.72 | MAPT (0.51) | NQO2RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL27832850 | 0.71 | ALDH1A1 (0.59) | NQO2NPC1ALDH1A1HTTTNFRSF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |