Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29685392 | 0.77 | KMT2A (0.50) | METAP2MAPTALDH1A1KDM4EGAA | |
| SCHEMBL12844824 | 0.77 | KMT2A (0.50) | METAP2MAPTALDH1A1KDM4EGAA | |
| SCHEMBL5800759 | 0.75 | KMT2A (0.52) | MAPTALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL9089445 | 0.75 | NPC1 (0.38) | MAPTALDH1A1KDM4EGAAPOLB | |
| SCHEMBL28044043 | 0.74 | MAOB (0.43) | MAPTALDH1A1KDM4EFYNHPGD | |
| SCHEMBL28066998 | 0.74 | METAP2 (0.46) | METAP2MAPTALDH1A1KDM4EGAA | |
| SCHEMBL989470 | 0.74 | GRM5 (0.40) | ALDH1A1CYP3A4CYP2C19TP53 | |
| SCHEMBL11623460 | 0.73 | ALDH1A1 (0.40) | METAP2MAPTALDH1A1KDM4EFYN | |
| SCHEMBL3852029 | 0.73 | KDR (0.43) | FYNJAK2MEN1KMT2ALMNA | |
| SCHEMBL12777944 | 0.72 | METAP2 (0.44) | METAP2MAPTALDH1A1KDM4EGAA |
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-105050598-A | Novel compounds as ERK inhibitors | MERCK SHARP & DOHME | 2015-11-11 | — | — | CN | disclosed |