Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2008368 | 0.83 | S1PR1 (0.34) | CYP19A1S1PR1S1PR3KDM4EALDH1A1 | |
| SCHEMBL2011686 | 0.83 | S1PR1 (0.36) | CYP19A1S1PR1S1PR3KDM4EALDH1A1 | |
| SCHEMBL17981886 | 0.75 | DYRK1A (0.37) | SLC10A1CYP19A1AHRDYRK1ABACE1 | |
| SCHEMBL30637677 | 0.73 | KDM4E (0.42) | S1PR1S1PR3MAPTKDM4EALDH1A1 | |
| SCHEMBL7141858 | 0.70 | NFE2L2 (0.39) | AHRMAPTKDM4EALDH1A1TDP1 | |
| SCHEMBL16877191 | 0.70 | RIOK2 (0.40) | S1PR1S1PR3KDM4EALDH1A1RIOK2 | |
| SCHEMBL6182309 | 0.69 | CYP1A2 (0.53) | MAPTKDM4EALDH1A1TDP1USP2 | |
| SCHEMBL28708881 | 0.66 | ALDH1A1 (0.44) | MAPTALDH1A1TDP1HPGDMAPK1 | |
| SCHEMBL8025197 | 0.66 | AOC3 (0.43) | MAPTALDH1A1TDP1HPGDMAPK1 | |
| SCHEMBL30637615 | 0.65 | NR3C2 (0.44) | KDM4EALDH1A1MAPK1POLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2655362-A1 | HEPATITIS C INHIBITORS AND USES THEREOF | Abbvie Inc. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087833-A1 | HEPATITIS C INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-06-28 | — | — | WO | disclosed |