Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7921872 | 1.00 | EPHX2 (0.50) | EPHX2SMYD3P2RX7ROCK2ROCK1 | |
| SCHEMBL7919569 | 0.82 | MTNR1A (0.49) | SMYD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13092157 | 0.80 | HTT (0.48) | EPHX2P2RX7TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL7922905 | 0.80 | MME (0.48) | SMYD3KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7910472 | 0.79 | SSTR4 (0.41) | SMYD3MMP9SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7919878 | 0.78 | EPHX1 (0.50) | EPHX2SMYD3SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3421690 | 0.76 | EPHX2 (0.42) | EPHX2P2RX7ROCK2ROCK1TAS1R3 | |
| SCHEMBL2461656 | 0.73 | ALDH1A1 (0.63) | EPHX2ROCK2ROCK1TAS1R3TAS1R1 | |
| SCHEMBL4375995 | 0.73 | SLC6A2 (0.50) | SMYD3MMP1MEN1KMT2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL5969836 | 0.72 | ALDH1A1 (0.62) | EPHX2ROCK2ROCK1TAS1R3TAS1R1 |
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 |