Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 3/20 | 0.38 |
| ▸ | PGK2 | P07205 | 3/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ACP3 | P15309 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL3646056 | 0.84 | TSHR (0.48) | PNMTTSHRMAPK1GAANPSR1 | |
| SCHEMBL5011905 | 0.84 | LMNA (0.46) | ESR1ESR2TSHRGAA | |
| SCHEMBL24961918 | 0.84 | ACHE (0.46) | ACP3MAPK1GAANPSR1L3MBTL1 | |
| SCHEMBL536997 | 0.80 | DPP4 (0.41) | IDO1TDO2ACP3TSHR | |
| SCHEMBL6314694 | 0.79 | TP53 (0.44) | PNMTIDO1TDO2TSHR | |
| SCHEMBL14210626 | 0.79 | HDAC4 (0.41) | TSHRPTPN5 | |
| SCHEMBL22362293 | 0.77 | ANPEP (0.53) | CES2TSHRNPSR1 | |
| SCHEMBL7647445 | 0.76 | ESR1 (0.46) | ESR1ESR2 | |
| SCHEMBL28123579 | 0.74 | PGK1 (0.35) | PGK1PGK2PNMTIDO1TDO2 | |
| SCHEMBL24682880 | 0.74 | HTR2A (0.42) | PGK1PGK2PNMTPTPN5 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020123608-A1 | Fluorinated polymer and coating composition | 21ST CENTURY COATINGS (AUST) PTY LTD (AU) | 2002-09-05 | — | — | US | claimed |
| US-5364547-A | Lubricants containing perfluorocyclobutane rings | THE DOW CHEMICAL COMPANY (US) | 1994-11-15 | — | — | US | claimed |
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |