Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
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 | 0.91 | L3MBTL1 (0.51) | MAPTPKML3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL9728699 | 0.90 | KCNQ2 (0.41) | MAPTPKML3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL9728372 | 0.85 | MAPT (0.41) | MAPTPKML3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL9728217 | 0.84 | CYP17A1 (0.45) | MAPTPKML3MBTL1KMT2AHTT | |
| SCHEMBL9191000 | 0.81 | CYP17A1 (0.44) | MAPTALDH1A1MAPK1KMT2AHTT | |
| SCHEMBL10582410 | 0.81 | MAPT (0.46) | MAPTPKMKMT2AHTTCYP17A1 | |
| Fluorobenzene SCHEMBL10576700 | 0.80 | CYP17A1 (0.48) | HTTCYP17A1CYP26A1CYP3A4 | |
| SCHEMBL10698157 | 0.78 | MAPT (0.46) | MAPTL3MBTL1ALDH1A1KMT2ALMNA | |
| SCHEMBL10577494 | 0.78 | CYP17A1 (0.48) | MAPTPKML3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL9728006 | 0.77 | CYP17A1 (0.47) | KMT2AHTTCYP17A1CYP26A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1036003-C | A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1997-10-01 | — | — | CN | disclosed |
| CN-1033752-C | (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives | JANSSEN PHARMACEUTICA NV (SE) | 1997-01-08 | — | — | CN | disclosed |
| 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 |