Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 5/20 | 0.41 |
| ▸ | MMP1 | P03956 | 4/20 | 0.41 |
| ▸ | MMP9 | P14780 | 4/20 | 0.41 |
| ▸ | MMP13 | P45452 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 3/20 | 0.41 |
| ▸ | MMP7 | P09237 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Butanol SCHEMBL7694184 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| Butanol SCHEMBL7695800 | 0.83 | ALDH1A1 (0.46) | CYP1A2CYP2C9MEN1KMT2ALMNA | |
| Butanol SCHEMBL7695797 | 0.83 | ALDH1A1 (0.46) | CYP1A2CYP2C9MEN1KMT2ALMNA | |
| SCHEMBL5549033 | 0.82 | LMNA (0.59) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| SCHEMBL19670 | 0.82 | LMNA (0.59) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| SCHEMBL8714156 | 0.80 | LMNA (0.56) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| SCHEMBL6917226 | 0.80 | LMNA (0.56) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| Methane SCHEMBL7758417 | 0.80 | LMNA (0.56) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| Hydrochloric Acid SCHEMBL4416133 | 0.80 | LMNA (0.56) | CYP1A2CYP2C9MEN1KMT2APLCG1 | |
| SCHEMBL6918769 | 0.80 | LMNA (0.56) | CYP1A2CYP2C9MEN1KMT2APLCG1 |
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-6346518-B1 | ADMINISTERING AS A COMPLEX WITH CYCLODEXTRIN TO TREAT FUNGAL INFECTIONS | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-02-12 | — | — | US | disclosed |
| EP-0631578-B1 | ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS | JANSSEN PHARMACEUTICA NV (BE) | 2001-05-23 | — | — | EP | disclosed |
| US-5998413-A | FUNGICIDE | JANSSEN PHARMACEUTICA, N.V. (BE) | 1999-12-07 | — | — | US | disclosed |
| EP-0631578-A1 | ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-01-04 | — | — | EP | disclosed |
| WO-1993019061-A1 | ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-30 | — | — | WO | disclosed |