Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893059 | 0.72 | AURKA (0.38) | MAPK10MAPK1KMT2A | |
| SCHEMBL16893152 | 0.72 | AURKA (0.42) | MAPK10MAPK1 | |
| SCHEMBL6908821 | 0.70 | SMN1; SMN2 (0.63) | KDM4EALDH1A1TSHRMAPK10MAPK1 | |
| SCHEMBL16893099 | 0.70 | AURKA (0.46) | MAPK1LMNARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL16893129 | 0.70 | CNR1 (0.41) | KDM4EMAPK1POLB | |
| SCHEMBL16893113 | 0.70 | CTNNB1 (0.41) | KDM4EALDH1A1TSHRMAPK1KMT2A | |
| SCHEMBL16893025 | 0.67 | PDK1 (0.37) | ALDH1A1MAPK10MAPK1 | |
| SCHEMBL16892992 | 0.67 | ROCK2 (0.43) | MAPK1KMT2ATP53 | |
| SCHEMBL16893057 | 0.67 | AURKA (0.59) | MAPK10MAPK1 | |
| SCHEMBL16893010 | 0.67 | AURKA (0.53) | MAPK10MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |