Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL11494800 | 0.84 | ALDH1A1 (0.67) | ALDH1A1ADRA2BPTGS1TDP1GAA | |
| Betanaphthol SCHEMBL454131 | 0.80 | CYP1A2 (0.81) | PTGS1TDP1CYP1A2ESR1MEN1 | |
| SCHEMBL9317358 | 0.78 | ALDH1A1 (0.53) | ALDH1A1ADRA2BPTGS1TDP1GAA | |
| Phenol SCHEMBL11879604 | 0.78 | ALDH1A1 (0.75) | ALDH1A1ADRA2BPTGS1TDP1CYP1A2 | |
| Betanaphthol SCHEMBL10964729 | 0.78 | CYP1A2 (0.59) | ALDH1A1TDP1CYP1A2GAAESR1 | |
| SCHEMBL14598 | 0.78 | — | — | |
| SCHEMBL29390378 | 0.78 | — | — | |
| Betanaphthol SCHEMBL10802368 | 0.77 | CYP1A2 (0.76) | TDP1CYP1A2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL27401934 | 0.77 | CYP1A2 (0.68) | ALDH1A1TDP1CYP1A2GAARCE1 | |
| Betanaphthol SCHEMBL27598725 | 0.75 | CYP1A2 (0.90) | PTGS1TDP1CYP1A2ESR1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4536570-A | DIRECT DYES;DYEING OF CELLULOSE | THE HILTON-DAVIS CHEMICAL CO. (US) | 1985-08-20 | — | — | US | disclosed |
| US-4379088-A | N-Aminoalkylenesulfonamido substituted monoazo colorants | STERLING DRUG INC. (US) | 1983-04-05 | — | — | US | disclosed |
| US-4379089-A | Polyaminoalkylenesulfonamidated disazo colorants | STERLING DRUG INC. (US) | 1983-04-05 | — | — | US | disclosed |