Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19382020 | 0.84 | HRH3 (0.44) | — | |
| SCHEMBL15082022 | 0.78 | GRIA2 (0.38) | ALDH1A1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL807450 | 0.78 | SLC6A3 (0.44) | ALDH1A1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL15081931 | 0.78 | GRIA2 (0.38) | ALDH1A1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL20459011 | 0.77 | SIGMAR1 (0.41) | ALDH1A1CYP1A2CYP2C19KCNH2SLC6A2 | |
| SCHEMBL21958842 | 0.76 | SLC6A2 (0.40) | ALDH1A1HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL15084372 | 0.76 | SLC6A2 (0.40) | ALDH1A1HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL24780648 | 0.73 | SLC6A2 (0.38) | ALDH1A1HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL8391664 | 0.71 | HRH3 (0.49) | — | |
| SCHEMBL8393736 | 0.71 | HRH3 (0.49) | — |
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-9242981-B2 | Fused pyrazole derivatives as novel ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |