Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 3/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL544773 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL12386935 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL755715 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL5685809 | 0.73 | — | — | |
| SCHEMBL9770202 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL4807365 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL29142561 | 0.71 | — | — | |
| SCHEMBL7719644 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL27291903 | 0.71 | — | — | |
| SCHEMBL28066531 | 0.71 | — | — |
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-102209541-B | Modulators of aldehyde dehydrogenase activity and its using method | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2016-05-18 | — | — | CN | disclosed |