Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8014820 | 0.84 | CHRM2 (0.53) | ALDH1A1HPGDGAAHTTKMT2A | |
| Trifluoroacetic Acid SCHEMBL5658268 | 0.77 | CTBP2 (0.49) | ALDH1A1HPGDGAAHTTKMT2A | |
| Trifluoroacetic Acid SCHEMBL4227420 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HPGDGAAHTTKMT2A | |
| Trifluoroacetic Acid SCHEMBL8007706 | 0.75 | SLC6A2 (0.44) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL8577476 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HPGDGAAHTTKMT2A | |
| SCHEMBL2017132 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HPGDGAAHTTKMT2A | |
| Trifluoroacetic Acid SCHEMBL4221829 | 0.74 | KDM4E (0.46) | ALDH1A1HPGDGAAHTTKMT2A | |
| Acetic Acid SCHEMBL5467302 | 0.73 | HPGD (0.61) | ALDH1A1HPGDGAAHTTKMT2A | |
| SCHEMBL28757860 | 0.72 | CES1 (0.55) | ALDH1A1HPGDGAAKMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL4629336 | 0.71 | FFAR1 (0.45) | ALDH1A1GAAKDM4EATMNPSR1 |
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-4738803-A | ENZYME INHIBITORS | ROQUES BERNARD (FR) | 1988-04-19 | — | — | US | disclosed |
| US-4618708-A | ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT | ROQUES BERNARD (FR) | 1986-10-21 | — | — | US | disclosed |