Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13962151 | 0.82 | CASP3 (0.42) | PKMCNR1GPR55CA12CA2 | |
| SCHEMBL13340958 | 0.80 | NR1H3 (0.39) | CA12CA2CA4CA7CA9 | |
| SCHEMBL16601584 | 0.80 | ALDH1A1 (0.39) | PKMCNR1GPR55CA12CA2 | |
| SCHEMBL16601582 | 0.80 | ALDH1A1 (0.38) | PKMCA12CA2CA4CA7 | |
| SCHEMBL13924055 | 0.77 | CA2 (0.51) | PKMCA12CA2CA4CA7 | |
| SCHEMBL26513514 | 0.74 | MAOA (0.53) | PKMCNR1GPR55CA12CA2 | |
| SCHEMBL16285367 | 0.72 | CA2 (0.68) | PKMCNR1GPR55CA12CA2 | |
| SCHEMBL15653115 | 0.72 | CA12 (0.40) | CA12CA2CA4CA7CA9 | |
| SCHEMBL5985686 | 0.71 | TP53 (0.39) | PKMCNR1GPR55CA12CA2 | |
| SCHEMBL5539734 | 0.70 | MEN1 (0.56) | PKMCNR1GPR55ALDH1A1LMNA |
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 |