Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NQO1 | P15559 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8526566 | 0.84 | SCN5A (0.36) | SCN5AMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL27936610 | 0.77 | POLB (0.41) | MAPTTSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL8526563 | 0.76 | KDM4E (0.35) | SCN5ATSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL6985548 | 0.75 | NQO1 (0.42) | SCN5AMAPTTSHRALDH1A1HPGD | |
| SCHEMBL28902378 | 0.74 | METTL3 (0.34) | MAPTTSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL8309821 | 0.73 | MEN1 (0.33) | MAPTTSHRALDH1A1HPGDMEN1 | |
| SCHEMBL9303456 | 0.72 | ADORA3 (0.35) | SCN5ATSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL8312126 | 0.72 | HPD (0.34) | KDM4EL3MBTL1 | |
| SCHEMBL10434028 | 0.72 | NQO1 (0.48) | SCN5AMAPTTSHRALDH1A1HPGD | |
| SCHEMBL8310774 | 0.71 | MEN1 (0.30) | TSHRHPGDMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5329041-A | For herbicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-07-12 | — | — | US | disclosed |
| WO-1992012957-A1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES | NGUYEN NHAN H (US) | 1992-08-06 | — | — | WO | disclosed |
| US-5110979-A | Trisubstituted benzoic acid intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-05 | — | — | US | disclosed |