Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042892 | 0.87 | HSD17B10 (0.44) | LMNATACR3KCNH2CYP2D6CYP2C19 | |
| SCHEMBL20042841 | 0.81 | TACR2 (0.45) | LMNATACR2TACR3KCNH2PKM | |
| SCHEMBL20042771 | 0.73 | P2RX7 (0.47) | LMNAPKMALDH1A1L3MBTL1KDM4E | |
| SCHEMBL20042922 | 0.73 | TACR2 (0.40) | LMNATACR2TACR3KCNH2PKM | |
| SCHEMBL20042927 | 0.71 | TACR2 (0.40) | LMNATACR2TACR3KCNH2PKM | |
| SCHEMBL20042898 | 0.69 | TACR3 (0.45) | LMNATACR3KCNH2CYP2D6CYP2C19 | |
| SCHEMBL20042851 | 0.67 | P2RX7 (0.46) | LMNATACR2TACR3KCNH2CYP2D6 | |
| SCHEMBL20042982 | 0.67 | P2RX7 (0.46) | LMNATACR2TACR3KCNH2CYP2D6 | |
| SCHEMBL20042798 | 0.67 | TACR3 (0.42) | LMNATACR2TACR3KCNH2CYP2D6 | |
| SCHEMBL20042878 | 0.67 | TACR3 (0.47) | TACR2TACR3KCNH2 |
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 |