Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020451 | 0.87 | DRD2 (0.48) | DRD2DRD4PTGS1PTGS2CES2 | |
| SCHEMBL28113202 | 0.81 | DRD2 (0.47) | DRD2DRD4NPC1RAB9APARP1 | |
| SCHEMBL27548769 | 0.81 | GSK3B (0.49) | PARP1ATMGAA | |
| SCHEMBL17986364 | 0.81 | GAA (0.41) | NPC1RAB9APARP1ALDH1A1LMNA | |
| SCHEMBL17986363 | 0.81 | GAA (0.41) | NPC1RAB9APARP1ALDH1A1LMNA | |
| SCHEMBL15164589 | 0.81 | GAA (0.49) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL28113822 | 0.80 | ALDH1A1 (0.57) | DRD2DRD4NPC1RAB9APARP1 | |
| SCHEMBL27472197 | 0.80 | CES2 (0.47) | CES2ALDH1A1MEN1KMT2AHDAC1 | |
| SCHEMBL6811236 | 0.79 | TRPA1 (0.49) | DRD2DRD4NPC1RAB9ALMNA | |
| SCHEMBL18193565 | 0.78 | ATM (0.63) | DRD2DRD4CES2CES1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106083686-A | The method that α bromoacetophenone oxime ether synthesizes 2,4 diaryl pyrrole compounds | 苏州大学 | 2016-11-09 | — | — | CN | claimed |