Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | WDR5 | P61964 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6909094 | 0.92 | ALDH1A1 (0.61) | ALDH1A1TSHRKDM4EADRB2ADRB1 | |
| SCHEMBL6909098 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL29164495 | 0.87 | WDR5 (0.49) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL31522280 | 0.86 | WDR5 (0.47) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL11056026 | 0.84 | CDC25B (0.55) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL28392719 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL10536669 | 0.82 | CDC25B (0.56) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL8735457 | 0.81 | WDR5 (0.51) | ALDH1A1TSHRWDR5LDHAKDM4E | |
| SCHEMBL28002294 | 0.81 | WDR5 (0.51) | ALDH1A1WDR5LDHAKDM4ENR4A1 | |
| SCHEMBL2738455 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4EADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111032603-B | Iron-catalyzed transesterification hydrogenation of esters to alcohols | 伊士曼化工公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-111032603-A | Iron-catalyzed transfer hydrogenation of esters to alcohols | 伊士曼化工公司 | 2020-04-17 | — | — | CN | disclosed |