Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL22320257 | 0.79 | TSHR (0.61) | TSHRRAB9AALDH1A1HSD17B10ERN1 | |
| SCHEMBL1712745 | 0.79 | TSHR (0.53) | TSHRRAB9APOLBPKMALDH1A1 | |
| SCHEMBL28486252 | 0.77 | SLC6A3 (0.57) | TSHRRAB9AALDH1A1HSD17B10ERN1 | |
| SCHEMBL9853785 | 0.76 | SLC6A3 (0.51) | TSHRRAB9APOLBPKMALDH1A1 | |
| Diethyl Phthalate SCHEMBL21811188 | 0.76 | TSHR (0.75) | TSHRRAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL3683272 | 0.75 | TSHR (0.80) | TSHRRAB9AALDH1A1HSD17B10ERN1 | |
| SCHEMBL29617021 | 0.75 | TSHR (0.80) | TSHRRAB9AALDH1A1HSD17B10ERN1 | |
| SCHEMBL4287323 | 0.75 | TSHR (0.52) | TSHRRAB9APOLBALDH1A1MAPT | |
| SCHEMBL9853783 | 0.74 | TSHR (0.49) | TSHRALDH1A1HSD17B10ERN1KDM4E | |
| Diethyl Phthalate SCHEMBL2173730 | 0.74 | TSHR (0.84) | TSHRPOLBALDH1A1HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998043649-A2 | AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-08 | — | — | WO | disclosed |