Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28208613 | 0.86 | TSHR (0.51) | KDM4EL3MBTL1TSHRALDH1A1EGFR | |
| SCHEMBL1092586 | 0.84 | KDM4E (0.67) | KDM4EL3MBTL1TSHRALDH1A1EGFR | |
| SCHEMBL30639179 | 0.84 | KDM4E (0.67) | KDM4EL3MBTL1TSHRALDH1A1EGFR | |
| SCHEMBL8320 | 0.80 | KDM4E (0.50) | KDM4EL3MBTL1TSHRALDH1A1EGFR | |
| SCHEMBL9038399 | 0.80 | CCR2 (0.51) | KDM4EL3MBTL1ALDH1A1EGFRMAPT | |
| SCHEMBL28341246 | 0.79 | KDM4E (0.42) | KDM4EL3MBTL1ALDH1A1EGFRMAPT | |
| SCHEMBL9272720 | 0.79 | CCR2 (0.50) | KDM4EL3MBTL1ALDH1A1EGFRMAPT | |
| SCHEMBL2662569 | 0.79 | KDM4E (0.49) | KDM4EL3MBTL1TSHRALDH1A1EGFR | |
| SCHEMBL28207998 | 0.79 | KDM4E (0.49) | KDM4EL3MBTL1TSHRALDH1A1EGFR | |
| SCHEMBL17625299 | 0.77 | FOLH1 (0.62) | KDM4EL3MBTL1ALDH1A1LMNAMEN1 |
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-105555763-B | indole-carboxamide derivatives | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-1245405-C | Piperazine derivatives | HOFFMANN LA ROCHE (CH) | 2006-03-15 | — | — | CN | disclosed |
| CN-1529706-A | Piperazine derivatives | - | 2004-09-15 | — | — | CN | disclosed |