Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4229019 | 0.82 | LTA4H (0.53) | TSHRCASP1NPC1RAB9AALDH1A1 | |
| SCHEMBL16486711 | 0.80 | AGXT (0.47) | TSHRCASP1NPC1RAB9AACHE | |
| SCHEMBL11983843 | 0.78 | LTA4H (0.56) | TSHRNPC1RAB9APTGS1ALDH1A1 | |
| SCHEMBL4647002 | 0.78 | NR1I2 (0.46) | TSHRCASP1ALDH1A1CYP3A4ADRB2 | |
| SCHEMBL4233371 | 0.78 | LTA4H (0.56) | NPC1RAB9APTGS1ALDH1A1MAPT | |
| SCHEMBL12314714 | 0.78 | TSHR (0.41) | TSHRCASP1NPC1RAB9AACHE | |
| SCHEMBL4229113 | 0.77 | ADRB2 (0.46) | TSHRCASP1TRPA1PTGS1CACNA1C | |
| SCHEMBL8286172 | 0.77 | RAB9A (0.36) | NPC1RAB9AHSP90AA1MAPK1MAPT | |
| SCHEMBL78097 | 0.76 | TSHR (0.50) | TSHRCASP1HSP90AA1ACHETRPA1 | |
| SCHEMBL14640957 | 0.76 | MCL1 (0.63) | TSHRALDH1A1KDM4EMAPTHPGD |
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-2021153794-A1 | METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE | 住友化学株式会社 | 2021-08-05 | — | — | WO | disclosed |