Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16496492 | 1.00 | PLA2G1B (0.48) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 | |
| SCHEMBL9514012 | 1.00 | PLA2G1B (0.48) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 | |
| SCHEMBL27611846 | 1.00 | PLA2G1B (0.48) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 | |
| SCHEMBL5408679 | 1.00 | PLA2G1B (0.48) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 | |
| SCHEMBL27285574 | 0.98 | PLA2G1B (0.47) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 | |
| SCHEMBL11056963 | 0.91 | — | — | |
| SCHEMBL16496493 | 0.81 | — | — | |
| SCHEMBL22986850 | 0.81 | FAAH (0.41) | SPHK1CYP2D6LMNAGMNNPOLB | |
| Water SCHEMBL28436436 | 0.81 | PLA2G1B (0.60) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 | |
| Propionitrile SCHEMBL28967556 | 0.81 | PLA2G1B (0.47) | PLA2G1BPLA2G2AOPRM1S1PR2S1PR1 |
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-2011079230-A2 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-06-30 | — | — | WO | disclosed |