Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14340687 | 0.83 | ESR1 (0.58) | ESR1ESR2L3MBTL1CRHBPCRHR2 | |
| SCHEMBL28477579 | 0.81 | PTGS2 (0.47) | ESR1ESR2KMT2ALMNAAKR1C3 | |
| SCHEMBL7718835 | 0.81 | ESR1 (0.55) | ESR1ESR2POLBKDM4EKDM4A | |
| SCHEMBL1476384 | 0.78 | L3MBTL1 (0.57) | ESR1ESR2L3MBTL1KMT2AMEN1 | |
| SCHEMBL7716645 | 0.78 | ESR1 (0.70) | ESR1ESR2L3MBTL1LMNAPTGS1 | |
| SCHEMBL2295719 | 0.77 | ESR1 (0.50) | ESR1ESR2KDM4EL3MBTL1CRHBP | |
| SCHEMBL6046251 | 0.77 | ESR1 (0.50) | ESR1ESR2KDM4EL3MBTL1CRHBP | |
| SCHEMBL7629387 | 0.77 | L3MBTL1 (0.61) | ESR1ESR2POLBL3MBTL1KMT2A | |
| SCHEMBL13687168 | 0.77 | ESR1 (0.50) | ESR1ESR2KDM4EL3MBTL1KMT2A | |
| SCHEMBL27146207 | 0.77 | AKR1C3 (0.54) | ESR1ESR2KDM4EL3MBTL1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102348682-B | 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-102348682-A | 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2012-02-08 | — | — | CN | disclosed |