Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 6/20 | 0.35 |
| ▸ | CNR1 | P21554 | 4/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.31 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19251152 | 0.93 | CYP2D6 (0.32) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19251373 | 0.86 | CNR2 (0.35) | CNR2CNR1KDM4ETP53CYP3A4 | |
| SCHEMBL22752214 | 0.86 | CNR2 (0.35) | CNR2CNR1KDM4ETP53CYP3A4 | |
| SCHEMBL19251171 | 0.86 | CNR2 (0.35) | CNR2CNR1KDM4ETP53CYP3A4 | |
| SCHEMBL22778501 | 0.85 | CYP19A1 (0.30) | — | |
| SCHEMBL22752306 | 0.85 | CNR1 (0.35) | CNR2CNR1KDM4ETP53CYP3A4 | |
| SCHEMBL19251639 | 0.85 | CNR1 (0.35) | CNR2CNR1KDM4ETP53CYP3A4 | |
| SCHEMBL22752567 | 0.83 | CNR1 (0.34) | CNR2CNR1KDM4ETP53CYP3A4 | |
| SCHEMBL19387704 | 0.83 | CNR1 (0.33) | CNR2CNR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19251317 | 0.81 | S1PR1 (0.33) | CNR2CNR1SPHK2S1PR4S1PR1 |
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-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |