Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | DGKA | P23743 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | PAM | P19021 | 2/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31084214 | 1.00 | CYP1A2 (0.65) | CYP1A2DGKAALOX15ALDH1A1TDP1 | |
| SCHEMBL3043054 | 1.00 | CYP1A2 (0.65) | CYP1A2DGKAALOX15ALDH1A1TDP1 | |
| SCHEMBL31084215 | 1.00 | CYP1A2 (0.65) | CYP1A2DGKAALOX15ALDH1A1TDP1 | |
| SCHEMBL11305128 | 0.98 | CYP1A2 (0.68) | CYP1A2DGKAALOX15ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL2962204 | 0.95 | CYP1A2 (0.65) | CYP1A2DGKAALOX15ALDH1A1TDP1 | |
| Palmitamide SCHEMBL8397167 | 0.94 | DGKA (0.64) | CYP1A2DGKAALDH1A1TSHRCYP3A4 | |
| Octadecanoic Acid Amide SCHEMBL5457014 | 0.94 | DGKA (0.64) | CYP1A2DGKAALDH1A1TSHRCYP3A4 | |
| Palmitamide SCHEMBL8399904 | 0.94 | DGKA (0.64) | CYP1A2DGKAALDH1A1TSHRCYP3A4 | |
| SCHEMBL11076396 | 0.93 | CYP1A2 (0.68) | CYP1A2DGKAALOX15ALDH1A1TDP1 | |
| SCHEMBL6055406 | 0.91 | CYP1A2 (0.70) | CYP1A2DGKAALOX15ALDH1A1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003006426-A1 | AROMATIC GUANYLHYDRAZONES AS EFFECTIVE COMPOUNDS AGAINST NEURODISEASES | AXXIMA PHARMACEUTICALS AG (DE) | 2003-01-23 | — | — | WO | disclosed |