Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4875267 | 0.91 | ALDH1A1 (0.79) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| SCHEMBL10519128 | 0.86 | ALDH1A1 (0.64) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| SCHEMBL10689561 | 0.86 | ALDH1A1 (0.68) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| SCHEMBL21044195 | 0.85 | ALDH1A1 (0.72) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| SCHEMBL3893679 | 0.84 | KMT2A (0.73) | ALDH1A1KMT2ASLC6A4SLC6A3MAPT | |
| Hydrochloric Acid SCHEMBL11071334 | 0.84 | ALDH1A1 (0.66) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| SCHEMBL2616297 | 0.84 | KMT2A (0.76) | ALDH1A1KMT2ACYP2C19MEN1KDR | |
| SCHEMBL9381303 | 0.83 | ALDH1A1 (0.69) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| Hydrochloric Acid SCHEMBL10503265 | 0.83 | ALDH1A1 (0.64) | ALDH1A1KMT2ASLC6A4SLC6A3CYP3A4 | |
| SCHEMBL9660120 | 0.83 | KMT2A (0.55) | ALDH1A1KMT2ACYP3A4CYP2D6MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4053470-A | BACTERICIDES, ANTIBIOTICS | PARKE, DAVIS & COMPANY (US) | 1977-10-11 | — | — | US | disclosed |
| US-3954734-A | PENICILLIN AND CEPHALOSPORIN TYPE | PARKE, DAVIS & COMPANY | 1976-05-04 | — | — | US | disclosed |
| US-3951982-A | Trialkylsilyl esters of 6(substituted amino)phenyl-1,-dihydro-2-oxonicotinic acid, methods for their production and conversion to the corresponding acid chlorides | PARKE, DAVIS & COMPANY | 1976-04-20 | — | — | US | disclosed |