Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14350620 | 1.00 | IDO1 (0.44) | IDO1TDO2SLC6A4SLC6A2ADRB2 | |
| SCHEMBL13076109 | 0.85 | SLC6A4 (0.43) | SLC6A4SLC6A2ADRB2ADRB1ADRB3 | |
| SCHEMBL14107607 | 0.85 | IDO1 (0.46) | IDO1TDO2SLC6A4SLC6A2ADRB2 | |
| SCHEMBL10959452 | 0.84 | AURKA (0.43) | SLC6A4SLC6A2DCAF1TAAR1AOC3 | |
| SCHEMBL27351455 | 0.82 | ADRB2 (0.43) | IDO1TDO2SLC6A4SLC6A2ADRB2 | |
| SCHEMBL14338095 | 0.82 | ADRB2 (0.43) | IDO1TDO2SLC6A4SLC6A2ADRB2 | |
| SCHEMBL14252613 | 0.82 | ADRB2 (0.43) | IDO1TDO2SLC6A4SLC6A2ADRB2 | |
| SCHEMBL13851783 | 0.82 | CTSA (0.51) | SLC6A4ACP3DCAF1ALDH1A1HPGD | |
| SCHEMBL24453717 | 0.81 | USP1 (0.43) | SLC6A4SLC6A2ACP3AOC3ALDH1A1 | |
| SCHEMBL14262065 | 0.81 | USP1 (0.43) | SLC6A4SLC6A2ACP3AOC3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012064269-A1 | COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES | ASTRAZENECA AB (SE) | 2012-05-18 | — | — | WO | disclosed |
| US-7345054-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-18 | — | — | US | disclosed |