Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28078520 | 0.91 | TP53 (0.36) | HTTLDHAHCRTR1HCRTR2MAPT | |
| SCHEMBL28078528 | 0.89 | JAK1 (0.36) | POLBLDHAMAPTTACR1MEN1 | |
| SCHEMBL28078423 | 0.84 | PTGS2 (0.40) | HTTPOLBLDHAHCRTR1HCRTR2 | |
| SCHEMBL28078369 | 0.84 | RPA1 (0.39) | HTTPOLBLDHAMAPTLMNA | |
| SCHEMBL28078542 | 0.81 | ABCB1 (0.40) | KDM4EPOLBLDHAMAPTDHODH | |
| SCHEMBL28078364 | 0.81 | ATM (0.40) | LMNATSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL28032237 | 0.79 | HTT (0.40) | KDM4EHTTPOLBLDHACOMT | |
| SCHEMBL28078534 | 0.78 | CNR1 (0.40) | KDM4EMAPTRORCALDH1A1HPGD | |
| SCHEMBL28078557 | 0.76 | CMA1 (0.43) | KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL28078548 | 0.75 | ABCB1 (0.37) | HTTPOLBLDHAHCRTR1HCRTR2 |
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-105646322-A | Perfluoroalkyl pyrrole derivative and synthesis method thereof | 上海大学 | 2016-06-08 | — | — | CN | disclosed |