Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7923262 | 0.88 | TP53 (0.45) | KDM4EMPOCYP1A2CYP3A4ADORA3 | |
| SCHEMBL5092483 | 0.86 | MAOA (0.55) | KDM4EMPOCYP1A2CYP3A4ADORA3 | |
| SCHEMBL29067682 | 0.85 | GAA (0.53) | CYP26A1TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL13868571 | 0.85 | GAA (0.53) | CYP26A1TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL29788361 | 0.85 | CYP26A1 (0.49) | CYP26A1TAS1R3TAS1R1KDM4EMPO | |
| SCHEMBL4896289 | 0.85 | GAA (0.53) | CYP26A1TAS1R3TAS1R1L3MBTL1ALDH1A1 | |
| SCHEMBL26823872 | 0.84 | TAS1R3 (0.50) | TAS1R3TAS1R1L3MBTL1ALDH1A1GAA | |
| SCHEMBL16898855 | 0.82 | KMT2A (0.50) | TAS1R3TAS1R1CYP1A2L3MBTL1ALDH1A1 | |
| SCHEMBL16898335 | 0.82 | KMT2A (0.50) | TAS1R3TAS1R1CYP1A2L3MBTL1ALDH1A1 | |
| SCHEMBL16898334 | 0.82 | KMT2A (0.50) | TAS1R3TAS1R1CYP1A2L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6251364-B1 | LIGANDS WITH ACTIVE GROUPS AND RADIOACTIVE MATERIALS | DUPONT PHARMACEUTICALS COMPANY | 2001-06-26 | — | — | US | disclosed |