Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1107760 | 0.82 | NQO2 (0.63) | CA2CA12CA1CA7CA9 | |
| SCHEMBL8943682 | 0.79 | CA2 (0.58) | CA2CA12CA1CA7CA9 | |
| SCHEMBL6887297 | 0.78 | CA2 (0.52) | CA2CA12CA1CA7CA9 | |
| SCHEMBL12320129 | 0.78 | CA2 (0.52) | CA2CA12CA1CA7CA9 | |
| SCHEMBL11662793 | 0.75 | CA2 (0.48) | CA2CA12CA1CA7CA9 | |
| SCHEMBL973685 | 0.75 | CA2 (0.48) | CA2CA12CA1CA7CA9 | |
| SCHEMBL17854040 | 0.75 | CA2 (0.48) | CA2CA12CA1CA7CA9 | |
| Hydrochloric Acid SCHEMBL3657273 | 0.74 | BLM (0.47) | CA2CA12CA1CA7CA9 | |
| SCHEMBL4859689 | 0.74 | CSF1R (0.49) | CA2CA12CA1CA7CA9 | |
| SCHEMBL8943818 | 0.72 | CA2 (0.61) | CA2CA12CA1CA7CA9 |
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 4 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 | disclosed |
| 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 | disclosed |
| EP-0635009-A1 | NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS. | MERRELL DOW PHARMA (US) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993020057-A1 | NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-10-14 | — | — | WO | disclosed |