Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL13071971 | 0.83 | ESR1 (0.34) | PRSS1PRSS2PRSS3F10LOXL2 | |
| SCHEMBL7670360 | 0.80 | ESR1 (0.38) | LOXL2CYP3A4TSHRALDH1A1IDO1 | |
| SCHEMBL22868058 | 0.77 | SRD5A2 (0.50) | ALDH1A1EPHX2NR1H4ABL1THRA | |
| SCHEMBL1505324 | 0.76 | ALDH1A1 (0.59) | TSHRALDH1A1THRBSRD5A2 | |
| SCHEMBL15559816 | 0.74 | ALDH1A1 (0.41) | ALDH1A1EPHX2NR1H4ABL1THRA | |
| SCHEMBL18103219 | 0.74 | KMT2A (0.59) | EPHX2NR1H4THRATHRB | |
| SCHEMBL27988584 | 0.74 | PLA2G10 (0.52) | CYP3A4TSHRALDH1A1EPHX2NR1H4 | |
| SCHEMBL22102029 | 0.74 | NOS3 (0.32) | IDO1EPHX2NR1H4 | |
| SCHEMBL2174894 | 0.73 | ESR1 (0.58) | CYP3A4ALOX15HBBALDH1A1IDO1 | |
| SCHEMBL15535667 | 0.73 | TSHR (0.43) | PRSS1PRSS2PRSS3TSHRESR1 |
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-2021003295-A1 | MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2021-01-07 | — | — | WO | disclosed |