Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL7274916 | 0.91 | DRD2 (0.41) | GBA1DRD2NQO2CYP3A4MAPT | |
| SCHEMBL7276194 | 0.89 | SIGMAR1 (0.47) | GBA1DRD2CYP3A4SIGMAR1HDAC3 | |
| SCHEMBL7272983 | 0.87 | GRB2 (0.37) | HDAC3HDAC1HDAC8HDAC6 | |
| SCHEMBL7272852 | 0.87 | SIGMAR1 (0.40) | GBA1DRD2CYP3A4MAPTSIGMAR1 | |
| SCHEMBL7275131 | 0.86 | SIGMAR1 (0.51) | GBA1CYP3A4SIGMAR1HDAC3HDAC1 | |
| SCHEMBL7274594 | 0.86 | SIGMAR1 (0.51) | GBA1CYP3A4SIGMAR1HDAC3HDAC1 | |
| SCHEMBL7273844 | 0.86 | SIGMAR1 (0.51) | GBA1CYP3A4SIGMAR1HDAC3HDAC1 | |
| SCHEMBL7274726 | 0.85 | SIGMAR1 (0.51) | CYP3A4SIGMAR1HDAC3HDAC1HDAC8 | |
| SCHEMBL7283712 | 0.85 | CA12 (0.38) | MAPTHDAC3HDAC1HDAC8HDAC6 | |
| SCHEMBL7282422 | 0.84 | CYP3A4 (0.47) | GBA1CYP3A4MAPTSIGMAR1HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5591769-A | PYRROLIDINE DERIVATIVES; ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1997-01-07 | — | — | US | disclosed |
| EP-0483667-A2 | Cyclic imino derivatives, process for their preparation and drugs containing them | Dr. Karl Thomae GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |