Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | OGA | O60502 | 2/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7097024 | 0.80 | ALDH1A1 (0.51) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL30644592 | 0.79 | ALDH1A1 (0.55) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17541523 | 0.79 | ALDH1A1 (0.55) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4574921 | 0.76 | SLC6A2 (0.51) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8918196 | 0.75 | NR4A2 (0.50) | NR4A2ALDH1A1MEN1CASP1KMT2A | |
| SCHEMBL903412 | 0.75 | ALDH1A1 (0.58) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL29403449 | 0.75 | ALDH1A1 (0.53) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17785872 | 0.75 | ALDH1A1 (0.53) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL11873906 | 0.75 | HTT (0.58) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 | |
| Quinoline SCHEMBL28938888 | 0.75 | ALDH1A1 (0.65) | NR4A2CYP3A4CYP2D6SLC6A2SLC6A4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5612354-A | CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-03-18 | — | — | US | disclosed |
| CN-1033752-C | (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives | JANSSEN PHARMACEUTICA NV (SE) | 1997-01-08 | — | — | CN | disclosed |
| US-5441954-A | Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells | JANSSEN PHARMACEUTICA N. V. (BE) | 1995-08-15 | — | — | US | disclosed |
| CN-1106004-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | CN | disclosed |
| CN-1106005-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | CN | disclosed |
| EP-0371564-B1 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-07-12 | — | — | EP | disclosed |
| US-5268380-A | Therapy for keratinization in mammals | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-12-07 | — | — | US | disclosed |
| US-5185346-A | Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents | HANSSEN PHARMACEUTICA (BE) | 1993-02-09 | — | — | US | disclosed |
| CN-1042912-A | (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-06-13 | — | — | CN | disclosed |
| EP-0371564-A2 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-06-06 | — | — | EP | disclosed |