Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | ALKBH3 | Q96Q83 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.34 |
| ▸ | FEN1 | P39748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9226568 | 0.95 | PDE3B (0.39) | GRM2ALDH1A1TDP2AKR1C3AKR1C2 | |
| SCHEMBL9225567 | 0.85 | APP (0.45) | ALDH1A1TDP2AKR1C3AKR1C2ALKBH3 | |
| SCHEMBL9224111 | 0.84 | CYP17A1 (0.41) | GRM2ALDH1A1TDP2CYP17A1LMNA | |
| SCHEMBL9221162 | 0.83 | DRD1 (0.42) | GRM2PDE3BPDE3AALKBH3LMNA | |
| SCHEMBL13480374 | 0.83 | PDE3B (0.36) | AKR1C3AKR1C2PDE3BPDE3AALKBH3 | |
| SCHEMBL9226465 | 0.83 | DRD1 (0.42) | GRM2PDE3BPDE3AALKBH3LMNA | |
| SCHEMBL9276401 | 0.82 | FEN1 (0.37) | GRM2TDP2AKR1C3AKR1C2ALOX5AP | |
| SCHEMBL9225180 | 0.82 | CYP17A1 (0.39) | TDP2CYP17A1 | |
| SCHEMBL9228824 | 0.82 | FFAR1 (0.42) | ALDH1A1KDM4ENPC1LMNARAB9A | |
| SCHEMBL9224688 | 0.81 | APP (0.49) | TDP2AKR1C3AKR1C2ALKBH3SMN1; SMN2 |
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-0413785-B1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK PATENT GMBH (DE) | 1995-12-20 | — | — | EP | disclosed |