Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18834616 | 0.81 | TRPC4 (0.41) | ADORA1P2RX3 | |
| SCHEMBL16664751 | 0.77 | TSHR (0.43) | POLBALDH1A1KMT2AMAPT | |
| SCHEMBL16029447 | 0.76 | ALDH1A1 (0.60) | POLBALDH1A1KMT2AMAOAMAOB | |
| SCHEMBL19560513 | 0.73 | KCNH2 (0.38) | P2RX3 | |
| SCHEMBL18834234 | 0.69 | TRPC5 (0.43) | ALDH1A1P2RX3KMT2A | |
| SCHEMBL19505409 | 0.69 | ADORA1 (0.39) | GRIN1GRIN2BADORA1EGLN1P2RX3 | |
| SCHEMBL19560542 | 0.69 | TRPC4 (0.44) | ADORA1P2RX3MAPT | |
| SCHEMBL18834534 | 0.69 | P2RX3 (0.42) | ALDH1A1P2RX3KMT2A | |
| SCHEMBL16364030 | 0.68 | TRPC5 (0.47) | P2RX3 | |
| SCHEMBL16029661 | 0.68 | MAOA (0.57) | POLBALDH1A1KMT2AMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970316-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2014152287-A9 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. (US) | 2015-04-23 | — | — | WO | disclosed |
| WO-2014152287-A2 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. (US) | 2014-09-25 | — | — | WO | disclosed |