Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPT1A | P50416 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | PRPS1 | P60891 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL613579 | 0.81 | CPT1A (0.45) | CPT1ACNR1PRPS1CNR2MCL1 | |
| SCHEMBL2642676 | 0.79 | KDM4E (0.48) | CPT1ACNR1CNR2CA1CA2 | |
| SCHEMBL2642993 | 0.77 | CNR2 (0.48) | CPT1ACNR1PRPS1CNR2MCL1 | |
| SCHEMBL2644030 | 0.76 | CPT1A (0.44) | CPT1ACNR1CNR2PTGDR2CA1 | |
| SCHEMBL2642659 | 0.74 | CNR2 (0.51) | CNR1PRPS1CNR2KDM4EALDH1A1 | |
| SCHEMBL3105145 | 0.74 | SERPINE1 (0.59) | CPT1ACNR1CNR2CA1CA2 | |
| SCHEMBL4660003 | 0.74 | KDM4E (0.48) | CPT1ACNR1CNR2KDM4EMEN1 | |
| SCHEMBL2643380 | 0.73 | CNR2 (0.56) | CNR1CNR2 | |
| SCHEMBL3098967 | 0.73 | HTR6 (0.59) | CPT1ACNR1PRPS1CNR2MCL1 | |
| SCHEMBL612485 | 0.73 | AVPR1A (0.54) | CPT1ACNR1CNR2MCL1PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2392571-A2 | Indol-3-yl-carbonyl-piperidin and piperazin derivatives | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |