Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL254106 | 0.75 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR | |
| SCHEMBL29443546 | 0.74 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR | |
| SCHEMBL306348 | 0.74 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR | |
| SCHEMBL5706356 | 0.71 | HDAC6 (0.39) | ALDH1A1SMN1; SMN2HSD17B10NPSR1KMT2A | |
| SCHEMBL17397214 | 0.70 | APOBEC3G (0.37) | ALDH1A1SMN1; SMN2PTPRCTSHRHSD17B10 | |
| SCHEMBL17263229 | 0.67 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR | |
| SCHEMBL29707064 | 0.67 | KDM4E (0.46) | PTPRCNPSR1KDM4ELMNA | |
| SCHEMBL18322824 | 0.67 | KDM4E (0.46) | PTPRCNPSR1KDM4ELMNA | |
| SCHEMBL31568294 | 0.66 | — | — | |
| SCHEMBL13338372 | 0.66 | CYP2D6 (0.47) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1696899-A1 | METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B | ALLERGAN, INC. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058301-A1 | METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B | ALLERGAN, INC. (US) | 2005-06-30 | — | — | WO | disclosed |