Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042841 | 0.88 | TACR2 (0.45) | TACR3KCNH2KDM4ETDP1GRM5 | |
| SCHEMBL20042958 | 0.88 | TACR3 (0.42) | TACR3KCNH2CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL20042865 | 0.88 | TACR3 (0.42) | TACR3KCNH2CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL20042989 | 0.87 | SMN1; SMN2 (0.44) | TACR3KCNH2SMN1; SMN2PIK3CDKDM4E | |
| SCHEMBL20042991 | 0.87 | SMN1; SMN2 (0.41) | TACR3KCNH2SMN1; SMN2PIK3CDKDM4E | |
| SCHEMBL20042900 | 0.86 | TACR3 (0.38) | TACR3KCNH2ALDH1A1P2RX7 | |
| SCHEMBL20042894 | 0.85 | GRM5 (0.40) | GRM5P2RX7 | |
| SCHEMBL20042843 | 0.85 | GRM5 (0.40) | GRM5P2RX7 | |
| SCHEMBL20042986 | 0.85 | TAS1R3 (0.40) | TACR3KCNH2TDP1GRM5LMNA | |
| SCHEMBL20042876 | 0.85 | TAS1R3 (0.40) | TACR3KCNH2TDP1GRM5LMNA |
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 |