Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.40 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL9196990 | 0.88 | POLB (0.44) | TAS2R14MEN1KMT2APOLBKDM4E | |
| SCHEMBL9874763 | 0.87 | TSHR (0.55) | KMT2APOLBALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL9875339 | 0.86 | KEAP1 (0.52) | MEN1KMT2AKDM4EALDH1A1L3MBTL1 | |
| Benzene SCHEMBL28328871 | 0.82 | TSHR (0.43) | ALDH1A1L3MBTL1SMN1; SMN2TSHRKEAP1 | |
| Sulfuric Acid SCHEMBL9324944 | 0.80 | HSP90AA1 (0.43) | KMT2APOLBALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL10446679 | 0.80 | SMN1; SMN2 (0.64) | TAS2R14MEN1KMT2APOLBKDM4E | |
| SCHEMBL124582 | 0.76 | NPSR1 (0.46) | MEN1KMT2APOLBALDH1A1L3MBTL1 | |
| SCHEMBL9743711 | 0.76 | NPSR1 (0.46) | MEN1KMT2APOLBALDH1A1L3MBTL1 | |
| SCHEMBL1563242 | 0.76 | CA2 (0.61) | TAS2R14MEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL93796 | 0.76 | CA2 (0.61) | TAS2R14MEN1KMT2AALDH1A1L3MBTL1 |
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-1991009020-A2 | PRODUCTION OF 5-(4'-HYDROXYPHENYL)HYDANTOIN AND D-p-HYDROXYPHENYLGLYCINE FROM 4-HYDROXYACETOPHENONE | HOECHST CELANESE CORPORATION (US) | 1991-06-27 | — | — | WO | disclosed |