Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | F13A1 | P00488 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28530111 | 0.85 | ST14 (0.47) | LMNAST14HPGDCA1CA2 | |
| SCHEMBL166076 | 0.84 | ACACB (0.56) | ST14HPGDKDM4EF13A1 | |
| SCHEMBL5574769 | 0.83 | LMNA (0.66) | LMNAHPGDCA1CA2TSHR | |
| SCHEMBL2191045 | 0.83 | KDM4E (0.65) | LMNAKDM4EF13A1CYP1A2CYP2D6 | |
| SCHEMBL31248359 | 0.83 | CA12 (0.49) | LMNAHPGDCA1CA2CYP2C19 | |
| SCHEMBL9925290 | 0.81 | HPGD (0.62) | LMNAHPGDCNR1 | |
| SCHEMBL3316967 | 0.81 | HPGD (0.68) | LMNAHPGDCA1CA2TSHR | |
| SCHEMBL6850677 | 0.81 | ESRRG (0.53) | LMNAST14HPGDCA1CA2 | |
| SCHEMBL2792326 | 0.81 | HPGD (0.54) | LMNAST14HPGDKDM4EF13A1 | |
| SCHEMBL696928 | 0.81 | HDAC3 (0.62) | HPGDCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9944635-B2 | Deuterated pyrazino[2,1-a]isoquinoline compounds and methods of treatment using the same | CONCERT PHARMACEUTICALS, INC. (US) | 2018-04-17 | — | — | US | disclosed |