Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL15947882 | 0.78 | MAPT (0.41) | MAPTALDH1A1CYP2C19CYP3A4HTT | |
| SCHEMBL13148707 | 0.78 | MAPT (0.42) | MAPTALDH1A1CYP2C19CYP3A4HTT | |
| SCHEMBL8010484 | 0.77 | ALDH1A1 (0.43) | MAPTALDH1A1L3MBTL1CYP2C9MEN1 | |
| SCHEMBL8009795 | 0.76 | CA1 (0.35) | APPCA1CA2CA9CA12 | |
| SCHEMBL13366567 | 0.76 | CYP2A6 (0.38) | MAPTALDH1A1CYP2C19CYP3A4HTT | |
| Dimethyl Sulfoxide SCHEMBL18894360 | 0.76 | MEN1 (0.57) | MAPTALDH1A1CYP3A4L3MBTL1CYP2C9 | |
| SCHEMBL7294193 | 0.75 | TSHR (0.43) | MAPTALDH1A1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL18856695 | 0.74 | MEN1 (0.48) | MAPTALDH1A1CYP3A4NR4A1MEN1 | |
| SCHEMBL3723687 | 0.71 | — | — | |
| SCHEMBL14432373 | 0.71 | ACHE (0.48) | MAPTALDH1A1CYP2C19CYP3A4HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3705481-A1 | HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF | Rui Jin Hospital Affiliated To Shanghai Jiao Tong University School of Medicine (CN) | 2020-09-09 | — | — | EP | disclosed |
| EP-2038286-B1 | PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS | ANADYS PHARMACEUTICALS INC (US) | 2017-03-08 | — | — | EP | disclosed |