Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL859854 | 0.78 | MEN1 (0.37) | ALDH1A1LMNASMN1; SMN2L3MBTL1OXTR | |
| SCHEMBL22802479 | 0.76 | ALDH1A1 (0.37) | KDM4EPOLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL27631760 | 0.74 | MEN1 (0.39) | KDM4EPOLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28079742 | 0.68 | CA12 (0.42) | KDM4EPOLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22817379 | 0.67 | ALDH1A1 (0.32) | ALDH1A1CYP2C9CYP2C19CYP1A2MAPK1 | |
| SCHEMBL18592843 | 0.64 | HTT (0.35) | SMN1; SMN2NPSR1TSHRMEN1KMT2A | |
| SCHEMBL1308117 | 0.64 | — | — | |
| SCHEMBL8144794 | 0.62 | RAB9A (0.42) | ALDH1A1SMN1; SMN2L3MBTL1OXTRAVPR1A | |
| SCHEMBL17846276 | 0.59 | PDE10A (0.32) | — | |
| SCHEMBL17844762 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016095089-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |