Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2172656 | 0.82 | ATM (0.57) | TACR1ATMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2170887 | 0.81 | ATM (0.52) | TACR1ATMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2173199 | 0.79 | ATM (0.52) | TACR1ATMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7917175 | 0.77 | ATM (0.53) | TACR1TRPV1ATMSLC6A2SLC6A4 | |
| SCHEMBL2170262 | 0.76 | CYP17A1 (0.52) | ATMNAMPT | |
| Trifluoroacetic Acid SCHEMBL31716872 | 0.75 | P2RX7 (0.46) | TACR1P2RX7TRPV1FAAHCA1 | |
| SCHEMBL2170740 | 0.73 | KMT2A (0.54) | EPHX2 | |
| SCHEMBL7921565 | 0.73 | ALDH1A1 (0.51) | TACR1ATMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15682792 | 0.73 | P2RX7 (0.57) | P2RX7TRPV1CA1CA2CA7 | |
| SCHEMBL14724467 | 0.72 | NPC1 (0.48) | — |
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 |