Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL198134 | 0.78 | TSHR (0.52) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL6341147 | 0.78 | ALDH1A1 (0.52) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL7038839 | 0.76 | CA1 (0.50) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL21987926 | 0.76 | ALDH1A1 (0.50) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL5946547 | 0.74 | CA1 (0.48) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL5733114 | 0.74 | CA1 (0.48) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL523683 | 0.74 | CA1 (0.48) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL538855 | 0.74 | IDO1 (0.74) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL1140622 | 0.74 | TDP1 (0.52) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL538854 | 0.74 | CA1 (0.48) | CA1CA2CA9IDO1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5852221-A | Optically active β-aminoalkoxyborane complex | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| US-5808098-A | REDUCING AGENT FROM AMINOALCOHOL | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-09-15 | — | — | US | disclosed |
| US-5786485-A | REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| US-5739347-A | REDUCING AGENTS FOR DECARBONYLATION | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-04-14 | — | — | US | disclosed |