Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 5/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | PPOX | P50336 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9379790 | 0.79 | PDK1 (0.31) | SLC6A2SLC6A4SLC6A3ADAM17 | |
| SCHEMBL9676458 | 0.78 | ESR1 (0.39) | ALDH1A1TDP1MMP13MAPTKMT2A | |
| SCHEMBL9730839 | 0.76 | MMP13 (0.52) | ALDH1A1TDP1MMP13MMP2MMP3 | |
| SCHEMBL515166 | 0.76 | KMT2A (0.48) | ALDH1A1TSHRHSD17B10TDP1MMP13 | |
| SCHEMBL12362765 | 0.75 | KMT2A (0.47) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL9676223 | 0.74 | MEN1 (0.44) | ALDH1A1HSD17B10MMP13MAPTKMT2A | |
| SCHEMBL12362768 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10391857 | 0.73 | ESR1 (0.41) | ALDH1A1TSHRHSD17B10MMP13MAPT | |
| SCHEMBL9773395 | 0.72 | MMP13 (0.43) | ALDH1A1MMP13MMP2MMP3MMP9 | |
| SCHEMBL8717943 | 0.72 | SLC6A2 (0.34) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 |
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-5128436-A | Cyclic polyhydroxy polyether oligomers having spirodilactam units | SHELL OIL COMPANY (US) | 1992-07-07 | — | — | US | disclosed |
| US-4992526-A | Preparation of polyarylate polymers of hydroxyaryl-substituted 1,6-diaza [4.] spirodilactams | SHELL OIL COMPANY (US) | 1991-02-12 | — | — | US | disclosed |
| US-4977235-A | From aromatic dicarboxylic acids and hydroxyaryl-substituted 1,6-diaza(4.4)spirodilactams; molding materials; high glass transition temperatures | SHELL OIL COMPANY (US) | 1990-12-11 | — | — | US | disclosed |
| US-4910285-A | Polyarylate polymers | SHELL OIL COMPANY (US) | 1990-03-20 | — | — | US | disclosed |