Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | SORD | Q00796 | 1/20 | 0.43 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9802957 | 0.79 | AKR1B1 (0.44) | CYP1A2AKR1B1MAPTHPGDMCL1 | |
| SCHEMBL10824405 | 0.72 | PLA2G2A (0.50) | CYP1A2NPC1MAPTHPGDCYP2C19 | |
| SCHEMBL7323294 | 0.70 | ALDH1A1 (0.62) | MAPTHPGDALDH1A1MAPK1ALOX15 | |
| SCHEMBL17861313 | 0.70 | MAOA (0.59) | AKR1B1MAPTHPGDCYP2C19MCL1 | |
| SCHEMBL13598105 | 0.68 | MAOA (0.45) | CYP1A2AKR1B1MAPTHPGDCYP2C19 | |
| SCHEMBL7358995 | 0.67 | MAOA (0.44) | CYP1A2AKR1B1MAPTHPGDCYP2C19 | |
| SCHEMBL11478385 | 0.67 | SMN1; SMN2 (0.50) | CYP1A2NPC1MAPTHPGDCYP2C19 | |
| SCHEMBL7381407 | 0.66 | SMN1; SMN2 (0.49) | CYP1A2NPC1MAPTHPGDCYP2C19 | |
| SCHEMBL516275 | 0.66 | CA9 (0.68) | CYP1A2AKR1B1NPC1HPGDRAB9A | |
| SCHEMBL31264770 | 0.66 | CA9 (0.68) | CYP1A2AKR1B1NPC1HPGDRAB9A |
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-5608085-A | Synthesis of optically active calanolides A and B and enantiomers and related compounds | THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) | 1997-03-04 | — | — | US | disclosed |
| WO-1996026934-A1 | SYNTHESIS OF OPTICALLY ACTIVE CALANOLIDES A AND B AND ENANTIOMERS AND RELATED COMPOUNDS | THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) | 1996-09-06 | — | — | WO | disclosed |