Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17086707 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ACHRNA7TSHR | |
| SCHEMBL17086708 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ACHRNA7TSHR | |
| SCHEMBL30949389 | 0.80 | CHRNA7 (0.42) | ALDH1A1MEN1KMT2ACHRNA7TSHR | |
| SCHEMBL19493623 | 0.79 | MEN1 (0.48) | ALDH1A1MEN1KMT2ATSHRTDP1 | |
| SCHEMBL8053971 | 0.79 | HSD11B1 (0.38) | ALDH1A1KMT2AACHEHSD11B1 | |
| SCHEMBL19493626 | 0.79 | MEN1 (0.48) | ALDH1A1MEN1KMT2ATSHRTDP1 | |
| SCHEMBL19493763 | 0.79 | MEN1 (0.48) | ALDH1A1MEN1KMT2ATSHRTDP1 | |
| SCHEMBL9782975 | 0.79 | CYP2D6 (0.31) | CYP2D6CYP2C9HIF1A | |
| SCHEMBL16847361 | 0.79 | HSD11B1 (0.38) | ALDH1A1KMT2AACHEHSD11B1 | |
| SCHEMBL17086713 | 0.79 | HSD11B1 (0.38) | ALDH1A1KMT2AACHEHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9226922-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-05 | — | — | US | disclosed |