Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 2/20 | 0.51 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8133713 | 0.82 | SMYD3 (0.54) | ALDH1A1HSD11B1SMYD3MEN1KMT2A | |
| SCHEMBL8133901 | 0.82 | SMYD3 (0.54) | ALDH1A1HSD11B1SMYD3MEN1KMT2A | |
| SCHEMBL8132870 | 0.81 | SMYD3 (0.52) | DPP9DPP7ALDH1A1SMYD3KDM4E | |
| SCHEMBL8134541 | 0.81 | SMYD3 (0.53) | ALDH1A1HSD11B1SMYD3MEN1KMT2A | |
| SCHEMBL8710585 | 0.79 | SMYD3 (0.54) | DPP9DPP7ALDH1A1SMYD3MEN1 | |
| SCHEMBL10272565 | 0.77 | SMYD3 (0.46) | HDAC8SMYD3 | |
| SCHEMBL1919144 | 0.74 | SLC6A2 (0.56) | ALDH1A1SMYD3MEN1KMT2A | |
| SCHEMBL29569463 | 0.73 | NPC1 (0.78) | DPP7ALDH1A1HDAC8MEN1KMT2A | |
| SCHEMBL25605335 | 0.73 | NPC1 (0.78) | DPP7ALDH1A1HDAC8MEN1KMT2A | |
| SCHEMBL6544452 | 0.71 | GAA (0.45) | ALDH1A1SMYD3MEN1KMT2AHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |