Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL21189651 | 0.93 | ESR1 (0.45) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| SCHEMBL21189660 | 0.90 | KIF11 (0.47) | ESR1ESR2ALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL22738140 | 0.90 | ESR1 (0.38) | ESR1ESR2TSHRHSD11B1 | |
| SCHEMBL21189414 | 0.80 | KIF11 (0.40) | ALDH1A1CYP3A4KIF11 | |
| SCHEMBL21189569 | 0.79 | ESR1 (0.41) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| SCHEMBL30772132 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1NPC1PLA2G1B | |
| SCHEMBL9396200 | 0.77 | ALDH1A1 (0.39) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| SCHEMBL732202 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1NPC1PLA2G1B | |
| SCHEMBL22991387 | 0.77 | KIF11 (0.33) | ESR1ESR2CA2KIF11 | |
| SCHEMBL22991402 | 0.75 | — | — |
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-2019142897-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | 三菱瓦斯化学株式会社 | 2019-07-25 | — | — | WO | disclosed |