Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8406148 | 0.93 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL30083990 | 0.91 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRXDHKDM4E | |
| SCHEMBL7806003 | 0.91 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRXDHKDM4E | |
| SCHEMBL5606838 | 0.85 | TSHR (0.59) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL9352993 | 0.84 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL88416 | 0.84 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| Diphenylether SCHEMBL11614851 | 0.83 | LTA4H (0.52) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL2793675 | 0.82 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL3744646 | 0.82 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 | |
| SCHEMBL9062160 | 0.79 | ST14 (0.61) | ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601177-B1 | METHOD FOR PREPARING AROMATIC CARBOXYLIC ACIDS | AMOCO CORP (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0601177-A1 | METHOD FOR PREPARING AROMATIC CARBOXYLIC ACIDS. | AMOCO CORP (US) | 1994-06-15 | — | — | EP | disclosed |
| US-5292934-A | Oxidation | AMOCO CORPORATION (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1994000413-A1 | METHOD FOR PREPARING AROMATIC CARBOXYLIC ACIDS | AMOCO CORPORATION (US) | 1994-01-06 | — | — | WO | disclosed |