Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.47 |
| ▸ | ESR1 | P03372 | 7/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL50089 | 0.92 | CYP1A2 (0.50) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL1451816 | 0.88 | CYP1A2 (0.50) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL28837713 | 0.83 | CYP1A2 (0.94) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL28624941 | 0.83 | CYP1A2 (0.94) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL28781 | 0.81 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL11594695 | 0.81 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL29658180 | 0.81 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL239472 | 0.81 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL1091 | 0.81 | CYP2A6 (0.47) | CYP1A2CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL14796756 | 0.81 | CYP2A6 (0.47) | CYP1A2CYP3A4TSHRHSD17B10TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2997050-A1 | CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS | Basell Poliolefine Italia S.r.l. (IT) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184171-A1 | CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS | BASELL POLIOLEFINE ITALIA S.R.L. (IT) | 2014-11-20 | — | — | WO | disclosed |