Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 9/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9196029 | 0.93 | L3MBTL1 (0.51) | CYP17A1PKML3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL9728310 | 0.92 | CYP26A1 (0.45) | CYP17A1PKML3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL10577494 | 0.85 | CYP17A1 (0.48) | CYP17A1PKML3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL9191000 | 0.85 | CYP17A1 (0.44) | CYP17A1CYP11B1CYP11B2CYP26A1NPC1 | |
| SCHEMBL10582410 | 0.85 | MAPT (0.46) | CYP17A1PKMCYP11B1CYP11B2CYP26A1 | |
| SCHEMBL9728169 | 0.84 | MAPT (0.41) | CYP17A1PKML3MBTL1CYP26A1NPC1 | |
| SCHEMBL9728699 | 0.84 | KCNQ2 (0.41) | CYP17A1PKML3MBTL1NPC1RAB9A | |
| SCHEMBL9728006 | 0.80 | CYP17A1 (0.47) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| Fluorobenzene SCHEMBL10576700 | 0.79 | CYP17A1 (0.48) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9728182 | 0.77 | CYP19A1 (0.59) | PKML3MBTL1CYP11B1CYP11B2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |