Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955646 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A | |
| SCHEMBL27625086 | 0.82 | MAPT (0.72) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| SCHEMBL17976487 | 0.79 | TP53 (0.59) | KMT2AMAPTMEN1RAB9AKDM4E | |
| Ethane SCHEMBL28222225 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| SCHEMBL27691054 | 0.78 | L3MBTL1 (0.55) | ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A | |
| SCHEMBL132620 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A | |
| SCHEMBL28109108 | 0.77 | ALDH1A1 (0.65) | ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A | |
| SCHEMBL28248602 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| Thiourea SCHEMBL21055683 | 0.75 | ALDH1A1 (0.85) | ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A | |
| SCHEMBL9470190 | 0.74 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106103348-B | The purposes of sulphur compound and selenium compound as the precursor of nano structural material | 哥伦比亚大学（纽约）理事会 | 2018-07-31 | — | — | CN | disclosed |
| CN-106103348-A | Sulphur compound and selenium compound are as the purposes of the precursor of nano structural material | 哥伦比亚大学（纽约）理事会 | 2016-11-09 | — | — | CN | disclosed |