Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3045691 | 0.83 | GABRG2 (0.41) | GABRG2GABRB3GABRA5POLBALDH1A1 | |
| SCHEMBL15161226 | 0.82 | PDE3B (0.49) | PKMCNR1GPR55POLBALDH1A1 | |
| SCHEMBL16601592 | 0.80 | KMT2A (0.38) | PKMCNR1GPR55POLBALDH1A1 | |
| SCHEMBL13340824 | 0.80 | GABRG2 (0.40) | GABRG2GABRB3GABRA5POLBLMNA | |
| SCHEMBL3039656 | 0.78 | CASP1 (0.47) | GABRG2GABRB3GABRA5ALDH1A1LMNA | |
| SCHEMBL16601600 | 0.77 | NR3C2 (0.45) | PKMCNR1GPR55POLBALDH1A1 | |
| SCHEMBL16601576 | 0.72 | GABRG2 (0.34) | GABRG2GABRB3GABRA5 | |
| SCHEMBL16275202 | 0.72 | GABRG2 (0.34) | GABRG2GABRB3GABRA5 | |
| SCHEMBL26476507 | 0.71 | PKM (0.55) | PKMCNR1GPR55POLBALDH1A1 | |
| SCHEMBL31294882 | 0.70 | PKM (0.54) | PKMCNR1GPR55POLBALDH1A1 |
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-8993585-B2 | Cyclic amine substituted pyrimidinediamines as PKC inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2015-03-31 | — | — | US | disclosed |