Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.48 |
| ▸ | PDE1A | P54750 | 3/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7458328 | 0.88 | ALDH1A1 (0.50) | MAPTTHRBPDE1BPDE1APDE1C | |
| SCHEMBL8352700 | 0.77 | P2RX4 (0.67) | MAPTTHRBKDM4EMEN1KMT2A | |
| SCHEMBL27171716 | 0.74 | PDE1B (0.50) | PDE5AMAPTTHRBPDE1BPDE1A | |
| SCHEMBL3665761 | 0.72 | HPGD (0.52) | MAPTADORA3KDM4EMEN1KMT2A | |
| SCHEMBL27171798 | 0.71 | PDE1B (0.43) | PDE5AMAPTPDE1BPDE1APDE1C | |
| SCHEMBL11193538 | 0.71 | ADORA2A (0.51) | ADORA1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25241925 | 0.70 | PDE1A (0.54) | MAPTPDE1BPDE1APDE1CKDM4E | |
| SCHEMBL2016802 | 0.70 | TNF (0.72) | PDE5AMAPTTHRBPDE4BPDE4D | |
| SCHEMBL6266030 | 0.69 | P2RX4 (0.72) | MAPTTHRBMEN1KMT2ATDP1 | |
| SCHEMBL23679701 | 0.69 | MAPT (0.47) | PDE5AMAPTTHRBPDE1BPDE1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021226407-A1 | FREE BASE CRYSTALS | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-3010509-B1 | FREE BASE CRYSTALS | INTRA CELLULAR THERAPIES INC (US) | 2021-07-28 | — | — | EP | disclosed |
| EP-3733675-A1 | SALT CRYSTALS OF A PDE1 INHIBITOR | Intra-Cellular Therapies, Inc. (US) | 2020-11-04 | — | — | EP | disclosed |
| EP-3702358-A1 | PROCESS FOR PREPARING SALTS OF A KNOWN PDE1 INHIBITOR | Intra-Cellular Therapies, Inc. (US) | 2020-09-02 | — | — | EP | disclosed |
| WO-2014205354-A2 | FREE BASE CRYSTALS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-12-24 | — | — | WO | disclosed |