Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | CCR2 | P41597 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5380803 | 0.78 | ALDH1A1 (0.68) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| SCHEMBL3904604 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| SCHEMBL11722771 | 0.77 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| SCHEMBL7915302 | 0.76 | POLB (0.61) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| SCHEMBL11715959 | 0.75 | CYP1A2 (0.54) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| 1-Naphthylisothiocyanate SCHEMBL29354904 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| 1-Naphthylisothiocyanate SCHEMBL419795 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| SCHEMBL3166446 | 0.74 | ALDH1A1 (0.69) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| 1-Naphthylisothiocyanate SCHEMBL27570428 | 0.73 | ALDH1A1 (0.96) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| 1-Naphthylisothiocyanate SCHEMBL27487887 | 0.73 | ALDH1A1 (0.96) | ALDH1A1HSD17B10CYP1A2HPGDMAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-3932318-A | COPOLYMERS WITH ISOCYANATES, CRYOGENIC POLYMERIZATION, NONFLAMMABLE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-01-13 | — | — | US | disclosed |