Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.30 |
| ▸ | MAOB | P27338 | 2/20 | 0.30 |
| ▸ | 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 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL1670633 | 0.81 | GSK3B (0.34) | PTPN1GSK3BMIFMAOAMAOB | |
| SCHEMBL1672283 | 0.76 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL1672285 | 0.76 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL1671213 | 0.70 | NTRK1 (0.38) | KDM4EALDH1A1LMNA | |
| SCHEMBL1670319 | 0.70 | SENP1 (0.30) | — | |
| SCHEMBL1670617 | 0.70 | — | — | |
| SCHEMBL1672901 | 0.70 | IDO1 (0.36) | GSK3BCYP3A4CYP2D6 | |
| SCHEMBL1670618 | 0.70 | — | — | |
| SCHEMBL1670636 | 0.69 | USP7 (0.30) | — | |
| SCHEMBL14675955 | 0.69 | PTPN1 (0.36) | PTPN1GSK3BMIFMAOAMAOB |
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 |