Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.37 |
| ▸ | SQLE | Q14534 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11549588 | 1.00 | PTPN1 (0.39) | PTPN1MEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL11554532 | 0.86 | SQLE (0.40) | MEN1CYP3A4ALOX15KMT2AMAPT | |
| SCHEMBL11554529 | 0.86 | SQLE (0.40) | MEN1CYP3A4ALOX15KMT2AMAPT | |
| SCHEMBL10639261 | 0.84 | — | — | |
| SCHEMBL10639252 | 0.84 | — | — | |
| SCHEMBL11736929 | 0.84 | LSS (0.35) | — | |
| SCHEMBL11549303 | 0.84 | PTPN1 (0.41) | PTPN1MEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL11549306 | 0.84 | PTPN1 (0.41) | PTPN1MEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL10967643 | 0.81 | CYP3A4 (0.41) | PTPN1MEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL10967647 | 0.81 | CYP3A4 (0.41) | PTPN1MEN1CYP3A4ALOX15KMT2A |
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-4137273-A | INSECTICIDES, CHEMICAL INTERMEDIATES | ZOECON CORPORATION (US) | 1979-01-30 | — | — | US | disclosed |
| US-4006193-A | GERANIOL AND NEROL FROM LINALOOL, VANADATE CATALYST | KURARAY CO., LTD. (JA) | 1977-02-01 | — | — | US | disclosed |
| US-4002647-A | INSECTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1977-01-11 | — | — | US | disclosed |