Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.51 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.51 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9331718 | 0.82 | SMN1; SMN2 (0.51) | ALDH1A1CDYLKDM4EMAPTKMT2A | |
| SCHEMBL7987478 | 0.82 | ALDH1A1 (0.53) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL11695333 | 0.81 | ALDH1A1 (0.49) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL11652998 | 0.79 | SMN1; SMN2 (0.49) | ALDH1A1CDYLKDM4EGAAMAPT | |
| SCHEMBL5689109 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL11698911 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL9915608 | 0.78 | DNM1 (0.52) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL8501459 | 0.77 | ALDH1A1 (0.51) | ALDH1A1ALDH3A1ALDH1A3KDM4EMAPT | |
| SCHEMBL13144571 | 0.77 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL1607796 | 0.76 | ALDH3A1 (0.73) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-3962220-A | ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |
| US-3962221-A | CONDENSATION, REDUCTION, OXIDATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |