Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 4/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7440799 | 1.00 | CTSL (0.40) | CTSLCTSSCTSBCYP1A2CYP3A4 | |
| SCHEMBL7438932 | 0.83 | CNOT7 (0.39) | ADORA2AADORA3ADORA1CYP2D6GRM5 | |
| SCHEMBL7438924 | 0.83 | CNOT7 (0.39) | ADORA2AADORA3ADORA1CYP2D6GRM5 | |
| SCHEMBL7437145 | 0.74 | GRIA1 (0.45) | CTSLCTSSCTSBCYP1A2CYP3A4 | |
| SCHEMBL7436592 | 0.74 | GRIA1 (0.45) | CTSLCTSSCTSBCYP1A2CYP3A4 | |
| SCHEMBL22386409 | 0.68 | JAK2 (0.35) | — | |
| SCHEMBL2342467 | 0.66 | MKNK1 (0.42) | — | |
| SCHEMBL8392004 | 0.66 | KAT2B (0.39) | CYP1A2CYP3A4NFKB1SMN1; SMN2ADORA2A | |
| SCHEMBL8392008 | 0.66 | KAT2B (0.39) | CYP1A2CYP3A4NFKB1SMN1; SMN2ADORA2A | |
| SCHEMBL7441118 | 0.65 | GAA (0.47) | CTSLCTSBSMN1; SMN2ADORA2BPDE5A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0538332-B1 | POLYCYCLIC GUANINE DERIVATIVES | SCHERING CORP (US) | 1997-07-23 | — | — | EP | disclosed |
| US-5393755-A | Hypotensive agents, enzyme inhibitors | SCHERING CORPORATION (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0538332-A1 | POLYCYCLIC GUANINE DERIVATIVES. | SCHERING CORP (US) | 1993-04-28 | — | — | EP | disclosed |
| WO-1991019717-A1 | POLYCYCLIC GUANINE DERIVATIVES | SCHERING CORPORATION (US) | 1991-12-26 | — | — | WO | disclosed |