Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12299034 | 0.84 | ALDH1A1 (0.50) | ALDH1A1NCEH1HTTMAPTKDM4E | |
| SCHEMBL28550557 | 0.81 | CASP6 (0.62) | ALDH1A1HTTMAPTKDM4EHPGD | |
| SCHEMBL7478284 | 0.80 | RXFP1 (0.60) | ALDH1A1NCEH1MAPTKDM4EHPGD | |
| SCHEMBL31152642 | 0.80 | RXFP1 (0.60) | ALDH1A1NCEH1MAPTKDM4EHPGD | |
| SCHEMBL28655699 | 0.80 | NCEH1 (0.48) | NCEH1KDM4ERXFP1NPC1RAB9A | |
| SCHEMBL12327748 | 0.80 | ALDH1A1 (0.46) | ALDH1A1NCEH1HTTMAPTKDM4E | |
| SCHEMBL11636427 | 0.80 | CYP19A1 (0.47) | HTTMAPTDYRK1AMEN1KMT2A | |
| SCHEMBL28599669 | 0.79 | MAPT (0.59) | ALDH1A1HTTMAPTHPGDRXFP1 | |
| SCHEMBL1284518 | 0.77 | ALDH1A1 (0.64) | ALDH1A1HTTMAPTKDM4EHPGD | |
| SCHEMBL31236185 | 0.75 | ALDH1A1 (0.62) | ALDH1A1HTTMAPTHPGDDYRK1A |
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-4102924-A | REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-25 | — | — | US | disclosed |