Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042749 | 0.85 | PKM (0.43) | PKMALDH1A1L3MBTL1P2RX7GRM5 | |
| SCHEMBL20042744 | 0.85 | MTHFD2 (0.44) | P2RX7GRM5 | |
| SCHEMBL20042771 | 0.83 | P2RX7 (0.47) | PKMALDH1A1L3MBTL1P2RX7GRM5 | |
| SCHEMBL20042739 | 0.80 | P2RX7 (0.44) | PKMALDH1A1L3MBTL1P2RX7GRM5 | |
| SCHEMBL20042737 | 0.80 | P2RX7 (0.44) | PKMALDH1A1L3MBTL1P2RX7GRM5 | |
| SCHEMBL20042732 | 0.80 | P2RX7 (0.44) | PKMALDH1A1L3MBTL1P2RX7GRM5 | |
| SCHEMBL20042734 | 0.77 | P2RX7 (0.47) | ALDH1A1P2RX7GRM5 | |
| SCHEMBL20042684 | 0.72 | SMN1; SMN2 (0.52) | ALDH1A1P2RX7GRM5CYP1A2CYP3A4 | |
| SCHEMBL20042668 | 0.71 | HPGD (0.51) | ALDH1A1L3MBTL1P2RX7GRM5CYP3A4 | |
| SCHEMBL20042689 | 0.71 | P2RX7 (0.39) | P2RX7GRM5CYP3A4SMN1; SMN2 |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |