Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28078413 | 0.91 | KDM4E (0.37) | MAPTLDHALMNATSHRHCRTR1 | |
| SCHEMBL28078528 | 0.89 | JAK1 (0.36) | MAPTLDHAALDH1A1TACR1MEN1 | |
| SCHEMBL28078423 | 0.84 | PTGS2 (0.40) | MAPTLDHALMNAHCRTR1HCRTR2 | |
| SCHEMBL28078369 | 0.84 | RPA1 (0.39) | MAPTLDHALMNAALDH1A1HTT | |
| SCHEMBL28078542 | 0.81 | ABCB1 (0.40) | MAPTLDHAALDH1A1DHODHMEN1 | |
| SCHEMBL28078364 | 0.81 | ATM (0.40) | TP53LMNATSHRALDH1A1MEN1 | |
| SCHEMBL28032227 | 0.80 | HTT (0.41) | TP53MAPTLDHALMNAALDH1A1 | |
| SCHEMBL28078534 | 0.78 | CNR1 (0.40) | MAPTALDH1A1GPBAR1HPGD | |
| SCHEMBL28078543 | 0.76 | KDM4E (0.45) | TP53MAPTLMNAALDH1A1HTT | |
| SCHEMBL28078548 | 0.75 | ABCB1 (0.37) | MAPTLDHALMNAHCRTR1HCRTR2 |
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 |