Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 12/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9501489 | 1.00 | GPR52 (0.40) | GPR52TBXAS1SLC22A12HCAR2PTGER4 | |
| SCHEMBL9505472 | 0.83 | — | — | |
| SCHEMBL9505479 | 0.83 | — | — | |
| SCHEMBL14465955 | 0.74 | CYSLTR2 (0.36) | KMT2A | |
| SCHEMBL7130362 | 0.72 | HPGD (0.34) | PTGER4PTGER3PTGER2MEN1CYP3A4 | |
| SCHEMBL6156151 | 0.72 | APOBEC3G (0.35) | CYP1A2KMT2A | |
| SCHEMBL11941054 | 0.72 | CTSB (0.41) | MEN1CYP2D6KMT2A | |
| SCHEMBL16831625 | 0.69 | GAA (0.54) | GPR52PTGER4PTGER3PTGER2KMT2A | |
| SCHEMBL28170180 | 0.69 | GPR52 (0.49) | GPR52HCAR2PTGER4PTGER3PTGER2 | |
| SCHEMBL16831626 | 0.69 | GAA (0.54) | GPR52PTGER4PTGER3PTGER2KMT2A |
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-0548235-A1 | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-06-30 | — | — | EP | disclosed |
| US-5217966-A | Synthetic drug molecules that mimic metalloenzymes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-06-08 | — | — | US | disclosed |
| US-5202317-A | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-04-13 | — | — | US | disclosed |
| WO-1992005178-A1 | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-04-02 | — | — | WO | disclosed |