Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL863091 | 0.88 | PTGS1 (0.42) | SHBGPTPN1ESR1PTGS1PTGS2 | |
| SCHEMBL27993024 | 0.82 | SHBG (0.42) | SHBGPTPN1ESR1PTGS1PTGS2 | |
| SCHEMBL25446772 | 0.81 | SHBG (0.47) | SHBGESR1PTGS1PTGS2HMGB1 | |
| SCHEMBL31092543 | 0.78 | SHBG (0.55) | SHBGESR1PTGS1PTGS2HMGB1 | |
| SCHEMBL1022721 | 0.78 | SHBG (0.55) | SHBGESR1PTGS1PTGS2HMGB1 | |
| SCHEMBL1023359 | 0.77 | SHBG (0.50) | SHBGPTPN1ESR1PTGS1PTGS2 | |
| SCHEMBL69627 | 0.76 | SHBG (0.70) | SHBGPTPN1ESR1PTGS1PTGS2 | |
| SCHEMBL10821832 | 0.74 | SHBG (0.62) | SHBGESR1PTGS1PTGS2HMGB1 | |
| SCHEMBL23750682 | 0.74 | PTPN1 (0.47) | PTPN1ESR1KDM4ENPC1BRD4 | |
| SCHEMBL31265753 | 0.74 | SHBG (0.62) | SHBGESR1PTGS1PTGS2HMGB1 |
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-0363801-B1 | Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics | ETHYL CORP (US) | 1994-03-16 | — | — | EP | disclosed |
| EP-0363801-A2 | Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics | ETHYL CORPORATION (US) | 1990-04-18 | — | — | EP | disclosed |
| US-4898994-A | Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics | ETHYL CORPORATION (US) | 1990-02-06 | — | — | US | disclosed |