Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAP2 | P11137 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27962508 | 0.84 | ALDH1A1 (0.38) | ALDH1A1TDP1HTTHPGDKDM4E | |
| SCHEMBL28138536 | 0.84 | CCNC (0.32) | HTT | |
| SCHEMBL27825563 | 0.83 | ALDH1A1 (0.41) | ALDH1A1MAPK1TDP1PARP1HTT | |
| SCHEMBL28278606 | 0.80 | HRH3 (0.36) | HDAC6 | |
| SCHEMBL28080955 | 0.80 | IDO1 (0.46) | ALDH1A1KDM4EHDAC4HDAC2HDAC8 | |
| SCHEMBL30590664 | 0.79 | PARP1 (0.42) | ALDH1A1PARP1HTTHPGDKDM4E | |
| SCHEMBL27962543 | 0.79 | HDAC4 (0.43) | ALDH1A1MAPK1TDP1HPGDKDM4E | |
| Trifluoroacetic Acid SCHEMBL28139227 | 0.76 | ITGB3 (0.36) | — | |
| SCHEMBL27962499 | 0.74 | CYP1A2 (0.39) | ALDH1A1HPGDKDM4EHSD17B10MEN1 | |
| SCHEMBL5534778 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPK1PARP1HTTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106565584-B | A kind of preparation method of 3,4- bis- (4- bromophenyl) -1H- pyrrole-2,5-diones | 东华大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-106565584-A | Preparing method for 3,4-bis(4-bromophenyl)-1H-pyrrole-2,5-diketone | 东华大学 | 2017-04-19 | — | — | CN | disclosed |
| CN-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |