Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11481750 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL2744755 | 0.94 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDTDP1CYP3A4 | |
| SCHEMBL3888504 | 0.94 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDTDP1CYP3A4 | |
| SCHEMBL1415585 | 0.94 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDTDP1CYP3A4 | |
| Sulfuric Acid SCHEMBL9126645 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNAHPGDTDP1CYP3A4 | |
| Acetic Acid SCHEMBL9702332 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNATDP1CYP3A4HSD17B10 | |
| Sulfuric Acid SCHEMBL11152215 | 0.85 | ALDH1A1 (0.42) | ALDH1A1LMNAHPGDTDP1CYP3A4 | |
| Nitrobenzene SCHEMBL1758147 | 0.78 | ALDH1A1 (0.64) | ALDH1A1LMNAHPGDTDP1CES2 | |
| SCHEMBL17347353 | 0.77 | TSHR (0.55) | ALDH1A1LMNATDP1CES2CES1 | |
| Benzene SCHEMBL8022388 | 0.76 | ALDH1A1 (0.33) | ALDH1A1LMNA |
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-5086128-A | HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |