Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4158699 | 0.84 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4ACACBMEN1 | |
| SCHEMBL4161150 | 0.84 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4ACACBMEN1 | |
| SCHEMBL8679555 | 0.84 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4TRPA1ACACB | |
| SCHEMBL2424315 | 0.84 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4ACACBMEN1 | |
| SCHEMBL2946718 | 0.83 | SLC6A2 (0.55) | SLC6A2SLC6A3SLC6A4ACACBMEN1 | |
| SCHEMBL110607 | 0.82 | ESR1 (0.47) | SLC6A2SLC6A3TRPA1ACACBMEN1 | |
| SCHEMBL5696027 | 0.81 | PTGS2 (0.50) | SLC6A2SLC6A3TRPA1MEN1KMT2A | |
| SCHEMBL192679 | 0.80 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4ACACBMEN1 | |
| SCHEMBL19342839 | 0.80 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4ACACBMEN1 | |
| SCHEMBL27524199 | 0.80 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4TRPA1ACACB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049491-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-22 | — | — | EP | disclosed |
| EP-1989206-A2 | INHIBITORS OF E1 ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2008019124-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |
| WO-2007092213-A2 | INHIBITORS OF E1 ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-08-16 | — | — | WO | disclosed |