Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 9/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9190861 | 0.92 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2KDM4ERAB9A | |
| SCHEMBL9198971 | 0.89 | CYP17A1 (0.46) | CYP17A1CYP11B1CYP11B2KDM4ERAB9A | |
| SCHEMBL1263568 | 0.86 | CYP17A1 (0.47) | CYP17A1CYP11B1CYP11B2KDM4ERAB9A | |
| SCHEMBL9197962 | 0.85 | CYP17A1 (0.43) | CYP17A1CYP11B1CYP11B2KDM4ERAB9A | |
| SCHEMBL9196619 | 0.83 | CYP17A1 (0.45) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9197966 | 0.82 | CYP17A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9196124 | 0.82 | HPGD (0.50) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9196420 | 0.82 | CYP17A1 (0.60) | CYP17A1CYP11B1CYP11B2KDM4ERAB9A | |
| SCHEMBL1263076 | 0.81 | KDM4E (0.44) | CYP17A1CYP11B1CYP11B2KDM4ECYP26A1 | |
| SCHEMBL9728218 | 0.80 | CYP17A1 (0.43) | CYP17A1CYP11B1CYP11B2KDM4ECYP26A1 |
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-5028606-A | Retinoid metabolism inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-07-02 | — | — | US | claimed |
| US-5151421-A | Compounds for inhibition of metabolism of retinoids, for treatment for proliferation of epithelial cells and keratin disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-29 | — | — | US | disclosed |
| US-5028606-A | Retinoid metabolism inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-07-02 | — | — | US | disclosed |