Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.32 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670635 | 0.81 | PTPN1 (0.34) | GSK3BMIFPTPN1MAOAMAOB | |
| SCHEMBL1672287 | 0.75 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL1671210 | 0.70 | USP7 (0.30) | MAPTSMN1; SMN2 | |
| SCHEMBL1670619 | 0.70 | — | — | |
| SCHEMBL1672900 | 0.70 | IDO1 (0.36) | GSK3B | |
| SCHEMBL1670634 | 0.69 | AKT1 (0.31) | — | |
| SCHEMBL1671012 | 0.69 | — | — | |
| SCHEMBL21141661 | 0.69 | PTPN1 (0.36) | GSK3BMIFPTPN1MAOAMAOB | |
| SCHEMBL1671138 | 0.69 | ESR1 (0.30) | ESR1 | |
| SCHEMBL1670522 | 0.68 | SENP1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011042477-A1 | SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS | KARO BIO AB (SE) | 2011-04-14 | — | — | WO | claimed |