Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12174841 | 0.79 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL18390779 | 0.78 | HSD17B1 (0.61) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL14838409 | 0.78 | HSD17B1 (0.41) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL114000 | 0.78 | HSD17B1 (0.47) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL11522531 | 0.77 | HSD17B1 (0.49) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL10205948 | 0.77 | ESR1 (0.66) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL12757438 | 0.76 | ESR2 (0.38) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL6812091 | 0.75 | MAPT (0.40) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL23478902 | 0.72 | MAPT (0.42) | HSD17B1HSD17B2ESR1ESR2MAPT | |
| SCHEMBL23449309 | 0.72 | ALDH1A1 (0.44) | HSD17B1HSD17B2ESR1ESR2MAPT |
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-2019038362-A1 | ANTIBACTERIAL PYRROLOIMIDAZOLONES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-02-28 | — | — | WO | disclosed |