Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | CD38 | P28907 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993103 | 0.88 | KDM4E (0.47) | KDM4EALDH1A1HPGDHSD17B10MAPK8 | |
| SCHEMBL28412131 | 0.87 | TSHR (0.50) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL2628166 | 0.86 | TSHR (0.57) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL28133577 | 0.84 | PARP1 (0.47) | KDM4EALDH1A1TSHRPARP1 | |
| SCHEMBL30100451 | 0.82 | TSHR (0.51) | KDM4EALDH1A1HPGDMAPK8CYP3A4 | |
| SCHEMBL1004028 | 0.81 | TSHR (0.58) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL3461101 | 0.81 | ADRA1D (0.49) | KDM4EALDH1A1MAPK8SIRT2ADRA1D | |
| SCHEMBL3462285 | 0.81 | MAPK8 (0.48) | KDM4EMAPK8SIRT2AURKARPS6KB1 | |
| SCHEMBL30839544 | 0.81 | GPR52 (0.49) | ALDH1A1TSHRSIRT2AURKARPS6KB1 | |
| SCHEMBL27423890 | 0.81 | FADS1 (0.43) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 |
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-1979348-A2 | ANTI-VIRAL COMPOUNDS | Abbott Laboratories (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007076034-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-07-05 | — | — | WO | disclosed |