Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11066907 | 0.86 | CYP3A4 (0.39) | CYP3A4THRBKMT2AALDH1A1HPGD | |
| SCHEMBL10737049 | 0.74 | HSP90AA1 (0.34) | HSP90AA1NPSR1CYP19A1 | |
| SCHEMBL11077170 | 0.74 | GAA (0.39) | CYP3A4KMT2AALDH1A1HSP90AA1NPSR1 | |
| Hydrochloric Acid SCHEMBL11202377 | 0.72 | CYP3A4 (0.44) | CYP3A4THRBKMT2AALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL11202372 | 0.72 | CYP3A4 (0.44) | CYP3A4THRBKMT2AALDH1A1HPGD | |
| SCHEMBL9314674 | 0.71 | CYP3A4 (0.44) | CYP3A4THRBKMT2AALDH1A1HPGD | |
| SCHEMBL11191816 | 0.71 | CYP3A4 (0.45) | CYP3A4THRBKMT2AALDH1A1HPGD | |
| SCHEMBL11072260 | 0.71 | CYP3A4 (0.50) | CYP3A4THRBKMT2AALDH1A1HPGD | |
| SCHEMBL11070762 | 0.70 | PGR (0.31) | — | |
| SCHEMBL8813231 | 0.69 | CYP3A4 (0.46) | CYP3A4THRBKMT2AALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4384879-A | PLANTS, FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1983-05-24 | — | — | US | claimed |
| EP-0044276-A2 | 4-(1H-azolylmethyl)-1,3-dioxolan-5-one derivatives, their preparation and use as plant growth regulators and/or pesticides | CIBA-GEIGY AG (CH) | 1982-01-20 | — | — | EP | claimed |
| US-4447625-A | 1,3-Dioxolan-5-one derivatives | CIBA-GEIGY CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |
| US-4384879-A | PLANTS, FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1983-05-24 | — | — | US | disclosed |
| EP-0044276-A2 | 4-(1H-azolylmethyl)-1,3-dioxolan-5-one derivatives, their preparation and use as plant growth regulators and/or pesticides | CIBA-GEIGY AG (CH) | 1982-01-20 | — | — | EP | disclosed |