Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26123763 | 0.84 | ALDH1A1 (0.67) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL30632968 | 0.84 | ALDH1A1 (0.72) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL28864240 | 0.83 | ALDH1A1 (0.76) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL2583030 | 0.83 | GAA (0.61) | ALDH1A1POLBSMN1; SMN2CYP2D6TSHR | |
| SCHEMBL30950209 | 0.83 | ALDH1A1 (0.44) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL12271108 | 0.81 | MKNK1 (0.52) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL29988703 | 0.81 | MKNK1 (0.52) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL14562470 | 0.81 | ALDH1A1 (0.58) | ALDH1A1POLBCYP2C9SMN1; SMN2TSHR | |
| SCHEMBL7361067 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBCYP2C9SMN1; SMN2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1532934 | 0.80 | MKNK1 (0.51) | ALDH1A1ALOX15KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602816-A | Compounds for treating cystic fibrosis | 艾伯维公司 | 2018-09-28 | — | — | CN | disclosed |