Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | GRM5 | P41594 | 4/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042922 | 0.89 | TACR2 (0.40) | LMNAKDM4ETACR3KCNH2ALDH1A1 | |
| SCHEMBL20042928 | 0.88 | TACR3 (0.44) | TACR3KCNH2GRM5CYP3A4ALDH1A1 | |
| SCHEMBL20042898 | 0.87 | TACR3 (0.45) | SMN1; SMN2LMNAKDM4ETDP1MAPT | |
| SCHEMBL20042860 | 0.86 | GRM5 (0.40) | GRM5ALDH1A1MEN1KMT2A | |
| SCHEMBL20042991 | 0.85 | SMN1; SMN2 (0.41) | SMN1; SMN2KDM4ETDP1GAATACR3 | |
| SCHEMBL20042835 | 0.82 | HSD17B10 (0.41) | SMN1; SMN2TACR3KCNH2USP2ALDH1A1 | |
| SCHEMBL20042841 | 0.76 | TACR2 (0.45) | LMNAKDM4ETDP1MAPTTACR3 | |
| SCHEMBL20042958 | 0.75 | TACR3 (0.42) | TACR3KCNH2CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL20042865 | 0.75 | TACR3 (0.42) | TACR3KCNH2CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL20042900 | 0.74 | TACR3 (0.38) | TACR3KCNH2ALDH1A1 |
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 |