Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5865851 | 0.94 | TSHR (0.45) | TSHRMAPK1ATMTDP1L3MBTL1 | |
| SCHEMBL5013584 | 0.80 | ESR1 (0.36) | CTSKESR1ESR2CYP4F2CYP4A11 | |
| SCHEMBL8236211 | 0.79 | LPL (0.42) | L3MBTL1ESR1ESR2CYP4F2CYP4A11 | |
| SCHEMBL4515042 | 0.79 | PTPN5 (0.51) | NPC1RAB9ASMN1; SMN2CTSKESR1 | |
| SCHEMBL12323306 | 0.78 | ESR1 (0.42) | TSHRESR1ESR2CYP4F2CYP4A11 | |
| SCHEMBL14593355 | 0.77 | ESR1 (0.48) | ESR1ESR2CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL4497165 | 0.76 | KIF11 (0.46) | PTGS2PTPN5ALDH1A1NR1I2 | |
| SCHEMBL8988146 | 0.76 | ESR1 (0.58) | CYP17A1ESR1ESR2 | |
| SCHEMBL25620711 | 0.76 | MAPK1 (0.47) | TSHRMAPK1ATMTDP1L3MBTL1 | |
| SCHEMBL12628146 | 0.76 | KIF11 (0.46) | PTGS2PTPN5ALDH1A1NR1I2 |
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-2012158784-A2 | MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR | KAMENECKA THEODORE MARK (US) | 2012-11-22 | — | — | WO | disclosed |