Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30535823 | 1.00 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL30395577 | 0.91 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL3414807 | 0.91 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL28440412 | 0.87 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL18471960 | 0.85 | MAPT (0.49) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL30172496 | 0.85 | MAPT (0.57) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL1666630 | 0.85 | MAPT (0.57) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL1482804 | 0.85 | MAPT (0.57) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2720506 | 0.83 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL23581451 | 0.82 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105742514-B | It is a kind of to improve the method for electron transport material alcohol/water solubility and Electron Injection Characteristics | 武汉大学 | 2017-10-03 | — | — | CN | disclosed |