Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL302093 | 0.96 | CYP3A4 (0.43) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7531150 | 0.94 | CYP3A4 (0.42) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Methane SCHEMBL27870733 | 0.94 | CYP3A4 (0.42) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5800875 | 0.94 | CYP3A4 (0.42) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27864119 | 0.94 | CYP3A4 (0.42) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Nitrogen SCHEMBL27667954 | 0.92 | CYP3A4 (0.41) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| SCHEMBL14058898 | 0.87 | ALDH1A1 (0.50) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Sulfuric Acid SCHEMBL27842634 | 0.85 | ALDH1A1 (0.50) | CYP3A4HSD17B10TDP1ALDH1A1MEN1 | |
| Sulfurous Acid SCHEMBL28648608 | 0.85 | ALDH1A1 (0.40) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 | |
| Nitrous Acid SCHEMBL28650088 | 0.85 | ALDH1A1 (0.40) | CYP3A4HSD17B10TDP1TAAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1110683-A | Process for the selective chlorination of 4,5-dihydro-1-phenyl-1h-1,2,4-triazol-5-one | FMC CORP (US) | 1995-10-25 | — | — | CN | disclosed |