Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAAO | P46952 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL195882 | 0.94 | CYP1A2 (0.44) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL9408349 | 0.92 | HAAO (0.42) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| Water SCHEMBL27552128 | 0.92 | HAAO (0.42) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| Ammonia Solution, Strong SCHEMBL28622226 | 0.92 | HAAO (0.42) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL9249101 | 0.92 | HAAO (0.42) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| Cyclohexane SCHEMBL7643926 | 0.88 | ALDH1A1 (0.33) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| Cyclohexylamine SCHEMBL27832104 | 0.87 | ACMSD (0.35) | ALDH1A1NOTUM | |
| Sulfuric Acid SCHEMBL4611662 | 0.85 | HAAO (0.38) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL27886205 | 0.85 | HAAO (0.38) | HAAOALDH1A1CYP1A2KDM4EHPGD | |
| Cyclohexane SCHEMBL4564741 | 0.84 | HAAO (0.40) | HAAOALDH1A1CYP1A2KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5270396-A | Monovinylarene and conjugated diene | PHILLIPS PETROLEUM COMPANY (US) | 1993-12-14 | — | — | US | disclosed |