Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL6578565 | 0.81 | TDP2 (0.35) | TDP2LMNAHTTNPC1ALDH1A1 | |
| SCHEMBL8040091 | 0.74 | CA12 (0.52) | LMNAHTTNPC1ALDH1A1HSP90AA1 | |
| SCHEMBL6578645 | 0.68 | HSD11B1 (0.40) | HTTALDH1A1RAB9ANPSR1NOTUM | |
| SCHEMBL13444931 | 0.68 | ALDH1A1 (0.59) | NPC1ALDH1A1HPGDMAPK1RAB9A | |
| SCHEMBL5922702 | 0.68 | HTR6 (0.48) | LMNAHTTALDH1A1MAPTHPGD | |
| SCHEMBL18674301 | 0.67 | POLB (0.36) | NPC1MAPTRAB9AKDM4EKMT2A | |
| SCHEMBL13663703 | 0.66 | CYP2A6 (0.59) | LMNAALDH1A1HPGDKDM4E | |
| SCHEMBL5014194 | 0.65 | PTGS2 (0.46) | HTTALDH1A1MAPTMAPK1RAB9A | |
| SCHEMBL121302 | 0.64 | — | — | |
| SCHEMBL18029368 | 0.64 | HTR7 (0.49) | MAPTCDC7CDK2HTR7 |
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 |