Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6423606 | 0.85 | KDM4E (0.53) | ESR1ESR2HTTKDM4EALDH1A1 | |
| SCHEMBL6423607 | 0.85 | KDM4E (0.53) | ESR1ESR2HTTKDM4EALDH1A1 | |
| SCHEMBL4658405 | 0.75 | LDHA (0.64) | ESR1ESR2HTTALDH1A1LDHA | |
| SCHEMBL4659114 | 0.73 | AKR1C3 (0.68) | HTTKDM4EPTGS1ALDH1A1AKR1C3 | |
| SCHEMBL4659113 | 0.73 | AKR1C3 (0.68) | HTTKDM4EPTGS1ALDH1A1AKR1C3 | |
| SCHEMBL27948969 | 0.70 | PDE4A (0.53) | HTTKDM4EPTGS1ALDH1A1AKR1C3 | |
| SCHEMBL28673604 | 0.70 | PDE4A (0.53) | HTTKDM4EPTGS1ALDH1A1AKR1C3 | |
| SCHEMBL3051689 | 0.68 | NQO2 (0.63) | HTTKDM4EALDH1A1AKR1C3PDE4A | |
| SCHEMBL28673508 | 0.68 | AKR1C3 (0.53) | HTTKDM4EALDH1A1PKMAKR1C3 | |
| SCHEMBL3049032 | 0.68 | NQO2 (0.63) | HTTKDM4EALDH1A1AKR1C3PDE4A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1251738-A4 | NOVEL DIPHENYLETHYLENE COMPOUNDS | CALYX THERAPEUTICS INC (US) | 2005-08-10 | — | — | EP | disclosed |
| EP-1251738-A1 | NOVEL DIPHENYLETHYLENE COMPOUNDS | Calyx Therapeutics, Inc. (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001056382-A1 | NOVEL DIPHENYLETHYLENE COMPOUNDS | CALYX THERAPEUTICS, INC. (US) | 2001-08-09 | — | — | WO | disclosed |