Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 | 0.82 | CA1 (0.61) | KDM4EGAAALDH1A1NPC1RAB9A | |
| SCHEMBL28120515 | 0.80 | CES2 (0.67) | ALDH1A1ABCG2CES2CES1NPC1 | |
| SCHEMBL9970808 | 0.80 | KMT2A (0.53) | KDM4EGAAALDH1A1ABCG2MAPT | |
| SCHEMBL7954384 | 0.80 | ALDH1A1 (0.50) | KDM4EGAAALDH1A1ABCG2MAPT | |
| SCHEMBL28065360 | 0.79 | ATM (0.47) | ATMKMT2A | |
| SCHEMBL25508540 | 0.79 | CES2 (0.64) | KDM4EGAAALDH1A1ABCG2RXRA | |
| SCHEMBL26480089 | 0.78 | ALDH1A1 (0.48) | KDM4EGAAALDH1A1ABCG2MAPT | |
| SCHEMBL475746 | 0.77 | CA1 (0.61) | KDM4EGAAALDH1A1MAPTNPC1 | |
| SCHEMBL11236182 | 0.77 | SERPINE1 (0.53) | KDM4EGAAALDH1A1MAPTNPC1 | |
| SCHEMBL7630425 | 0.77 | ALDH1A1 (0.46) | KDM4EGAAALDH1A1ABCG2MAPT |
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-101511798-A | [4, 5 '] bipyrimidinyl-6, 4' -diamine derivatives as protein kinase inhibitors | IRM LLC (VG) | 2009-08-19 | — | — | CN | disclosed |