Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.65 |
| ▸ | NPC1 | O15118 | 3/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | PTPRC | P08575 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | APAF1 | O14727 | 1/20 | 0.58 |
| ▸ | TDP2 | O95551 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4444783 | 0.83 | ADORA2A (0.72) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6905719 | 0.83 | PTPRC (0.61) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6907201 | 0.83 | PTPRC (0.61) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8773084 | 0.83 | ADORA2A (0.72) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29361856 | 0.83 | ADORA2A (0.72) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30377911 | 0.83 | ADORA2A (0.72) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL472644 | 0.82 | ADORA2A (0.57) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| Methylamine SCHEMBL9597386 | 0.80 | ADORA2A (0.57) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28164455 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL21635983 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A |
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-105585875-A | Dication active dye for salt-free dyeing of cotton fabrics and preparation method thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2016-05-18 | — | — | CN | disclosed |