Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | P4HB | P07237 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL8532916 | 0.90 | CYP3A4 (0.31) | ALDH1A1TSHRLMNAUSP2TP53 | |
| SCHEMBL8867454 | 0.90 | CYP3A4 (0.31) | ALDH1A1TSHRLMNAUSP2TP53 | |
| SCHEMBL8867430 | 0.90 | CYP3A4 (0.31) | ALDH1A1TSHRLMNAUSP2TP53 | |
| Hydrochloric Acid SCHEMBL8931170 | 0.88 | GMNN (0.32) | ALDH1A1TSHRLMNAUSP2TP53 | |
| Water SCHEMBL8931171 | 0.88 | USP2 (0.30) | ALDH1A1TSHRLMNAUSP2TP53 | |
| Hydrochloric Acid SCHEMBL8867573 | 0.87 | GMNN (0.31) | ALDH1A1TSHRLMNAUSP2TP53 | |
| Hydrochloric Acid SCHEMBL8867577 | 0.87 | GMNN (0.31) | ALDH1A1TSHRLMNAUSP2TP53 | |
| SCHEMBL8931179 | 0.80 | SIGMAR1 (0.44) | LMNAPOLBMC4RHRH1 | |
| SCHEMBL8535345 | 0.79 | DRD2 (0.39) | GAATSHRLMNAUSP2TP53 | |
| SCHEMBL8536285 | 0.76 | ALOX5 (0.37) | TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5721233-A | Derivatives of 2,3-dihydro benzofuranols | MERRELL PHARMACEUTICALS INC. (US) | 1998-02-24 | — | — | US | claimed |
| EP-0635009-B1 | NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS | MERRELL PHARMA INC (US) | 1997-09-17 | — | — | EP | claimed |