Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | POLQ | O75417 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL306348 | 0.87 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HDAC1HDAC6HDAC8 | |
| SCHEMBL29443546 | 0.87 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HDAC1HDAC6HDAC8 | |
| SCHEMBL10059165 | 0.76 | HSP90AA1 (0.36) | ALDH1A1HSD17B10TSHRKMT2ASLC6A2 | |
| SCHEMBL14307527 | 0.74 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19POLB | |
| SCHEMBL15557360 | 0.73 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA | |
| SCHEMBL11336157 | 0.72 | POLB (0.38) | ALDH1A1SMN1; SMN2HDAC1HDAC6POLB | |
| SCHEMBL5539664 | 0.70 | NFE2L2 (0.31) | — | |
| SCHEMBL4383200 | 0.68 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19POLB | |
| SCHEMBL254106 | 0.68 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19POLB | |
| SCHEMBL5535038 | 0.68 | PGK1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3143018-A1 | CARBOXAMIDE DERIVATIVES | Novartis AG (CH) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015175796-A1 | CARBOXAMIDE DERIVATIVES | NOVARTIS AG (CH) | 2015-11-19 | — | — | WO | disclosed |