Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HMGCR | P04035 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31490365 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL27933598 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL1498785 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL7082501 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL26664827 | 0.82 | HMGCR (0.48) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL20399474 | 0.82 | HMGCR (0.48) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL16445891 | 0.80 | HMGCR (0.56) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL20445893 | 0.79 | TAAR1 (0.45) | ALDH1A1KDM4EMAPTHPGDTAAR1 | |
| SCHEMBL13225464 | 0.79 | TAAR1 (0.50) | ALDH1A1CYP3A4ALOX15HMGCRMEN1 | |
| SCHEMBL26110762 | 0.77 | HMGCR (0.57) | ALDH1A1CYP3A4KDM4EMAPTALOX15 |
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-2003063787-A2 | NON-STEROIDAL ANALOGS OF 2-METHOXYESTRADIOL | ENTREMED, INC. (US) | 2003-08-07 | — | — | WO | disclosed |