Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723602 | 0.80 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL21723360 | 0.75 | KMT2A (0.34) | KMT2ATSHRTDP1L3MBTL1ALDH1A1 | |
| SCHEMBL21723244 | 0.73 | JMJD6 (0.41) | KMT2ATSHRALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL21723192 | 0.71 | JMJD6 (0.40) | CYP1A2CYP2C9CYP2C19KMT2ATSHR | |
| SCHEMBL27890 | 0.71 | KDM4E (0.43) | CYP1A2CYP3A4CYP2C19KMT2ATSHR | |
| SCHEMBL21723610 | 0.70 | TTR (0.44) | TSHRL3MBTL1ALDH1A1TTRHTT | |
| SCHEMBL21723252 | 0.70 | JMJD6 (0.39) | KMT2ATSHRL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL20470613 | 0.70 | PDGFRB (0.42) | CYP1A2CYP3A4CYP2C19KMT2ATSHR | |
| SCHEMBL21723198 | 0.68 | TTR (0.42) | KMT2ATSHRALDH1A1SMN1; SMN2TTR | |
| SCHEMBL31710360 | 0.68 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A |
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-2020036133-A1 | 3-(1H-1,2,4-TRIAZOLE-1-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT | クミアイ化学工業株式会社 | 2020-02-20 | — | — | WO | disclosed |