Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 12/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.34 |
| ▸ | IL1B | P01584 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5323899 | 0.84 | AAK1 (0.37) | VDRAAK1 | |
| SCHEMBL5323891 | 0.79 | KDM4E (0.41) | VDRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL5325359 | 0.79 | KDM4E (0.41) | VDRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL34472182 | 0.78 | KDM4E (0.33) | KDM4EMEN1USP2ALDH1A1MAPT | |
| SCHEMBL2408308 | 0.75 | ALDH1A1 (0.42) | VDRHDAC3HDAC6MCHR1KDM4E | |
| SCHEMBL5321538 | 0.75 | ALDH1A1 (0.39) | HDAC3HDAC6KDM4EALDH1A1KMT2A | |
| SCHEMBL2226575 | 0.73 | AAK1 (0.40) | VDRHDAC3HDAC6MCHR1AAK1 | |
| SCHEMBL18374464 | 0.71 | MRGPRX4 (0.47) | VDRHDAC3HDAC6MCHR1AAK1 | |
| SCHEMBL634310 | 0.71 | ALDH1A1 (0.47) | KDM4EMEN1ALDH1A1MAPTTHRB | |
| SCHEMBL942491 | 0.70 | VDR (0.51) | VDRHDAC3HDAC6MCHR1ALDH1A1 |
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-2007121418-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007121418-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-25 | — | — | WO | disclosed |