Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL11174608 | 0.89 | ALDH1A1 (0.48) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL9097142 | 0.86 | EPHX1 (0.50) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Acetic Acid SCHEMBL6914578 | 0.84 | EPHX1 (0.48) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Glycolic Acid SCHEMBL28077117 | 0.82 | ALDH1A1 (0.57) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Alcohol SCHEMBL9949830 | 0.81 | SIGMAR1 (0.41) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Alcohol SCHEMBL3397893 | 0.81 | SIGMAR1 (0.41) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Alcohol SCHEMBL9949549 | 0.81 | SIGMAR1 (0.41) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| Alcohol SCHEMBL9949554 | 0.79 | SIGMAR1 (0.38) | ALDH1A1EPHX1KDM4ECYP3A4KMT2A | |
| Methyl Alcohol SCHEMBL27923539 | 0.78 | ALDH1A1 (0.47) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17046101 | 0.78 | ALDH1A1 (0.47) | ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4334073-A | BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION | BAYER AKTIENGESELLSCHAFT (DE) | 1982-06-08 | — | — | US | claimed |