Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 9/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6576502 | 0.81 | TDP2 (0.36) | TDP2HTTALDH1A1LMNANPC1 | |
| SCHEMBL15669157 | 0.71 | HTT (0.39) | HTTALDH1A1LMNANPC1MAPT | |
| SCHEMBL3898768 | 0.71 | HTR6 (0.44) | HTTALDH1A1LMNAMAPTHPGD | |
| SCHEMBL18674302 | 0.71 | GABRA1 (0.36) | ALDH1A1NPC1MAPTHPGDMAPK1 | |
| SCHEMBL8040091 | 0.70 | CA12 (0.52) | HTTALDH1A1LMNANPC1HSP90AA1 | |
| SCHEMBL440124 | 0.69 | GRM5 (0.50) | HTTALDH1A1LMNANPC1MAPT | |
| SCHEMBL5015445 | 0.69 | PTGS2 (0.42) | HTTALDH1A1MAPTMAPK1RAB9A | |
| SCHEMBL716385 | 0.67 | GRM5 (0.54) | HTTALDH1A1LMNANPC1MAPT | |
| SCHEMBL1914269 | 0.67 | CYP1A1 (0.38) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL12986433 | 0.66 | CYP1A2 (0.37) | GABRA1GABRA5GABRG2GABRB3GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0937045-B1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | ALLERGAN INC (US) | 2004-04-28 | — | — | EP | disclosed |