Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11560363 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL11562290 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL11562083 | 0.78 | CYP1A2 (0.47) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL29289250 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL29289251 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL8540762 | 0.76 | CYP1A2 (0.58) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL8540758 | 0.76 | CYP1A2 (0.58) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL11565020 | 0.71 | CYP1A2 (0.65) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL11564787 | 0.70 | CYP1A2 (0.49) | ALDH1A1MAPTRAB9AKMT2AKDM4E | |
| SCHEMBL10984178 | 0.70 | PDCD1 (0.45) | ALDH1A1MAPTFBP1MAPK1GAA |
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-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |