Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1624199 | 0.80 | ALDH1A1 (0.46) | PTGS2TDP2MAPTKMT2AHPGD | |
| SCHEMBL8093099 | 0.66 | RARB (0.44) | — | |
| SCHEMBL16492050 | 0.64 | PTGS2 (0.52) | PTGS2ESR1ESR2SENP1TDP2 | |
| SCHEMBL6551950 | 0.63 | — | — | |
| SCHEMBL6702892 | 0.63 | PTGS2 (0.59) | PTGS2ESR1ESR2SENP1TDP2 | |
| SCHEMBL6292004 | 0.60 | ESR1 (1.00) | ESR1ESR2RAB9AMEN1MAPT | |
| SCHEMBL9090705 | 0.60 | ESR1 (1.00) | ESR1ESR2RAB9AMEN1MAPT | |
| Hydroquinone SCHEMBL5712110 | 0.60 | ESR1 (1.00) | ESR1ESR2RAB9AMEN1MAPT | |
| SCHEMBL30826784 | 0.60 | ESR1 (1.00) | ESR1ESR2RAB9AMEN1MAPT | |
| SCHEMBL15632 | 0.60 | ESR1 (1.00) | ESR1ESR2RAB9AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0022492-B1 | STEREO SELECTIVE RESOLUTION OF PHENYLGLYCINE DERIVATIVES WITH ENZYMERESINS | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |
| EP-0022492-A1 | Stereo selective resolution of phenylglycine derivatives with enzymeresins | BAYER AG (DE) | 1981-01-21 | — | — | EP | disclosed |
| EP-0003786-B1 | STEREOSELECTIVE SEPARATION OF PHENYLGLYCINE DERIVATIVES AND 4-HYDROXYPHENYLGLYCINE DERIVATIVES WITH ENZYME-CONTAINING POLYMERS | BAYER AG (DE) | 1980-12-10 | — | — | EP | disclosed |