Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9856423 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1TP53HPGD | |
| SCHEMBL194006 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDL3MBTL1MEN1USP2 | |
| SCHEMBL13270863 | 0.79 | — | — | |
| SCHEMBL6626246 | 0.78 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1TP53HPGD | |
| SCHEMBL6626208 | 0.77 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NPC1TP53HPGD | |
| SCHEMBL20096534 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HPGDMEN1MAPTKMT2A | |
| SCHEMBL24177194 | 0.76 | ALDH1A1 (0.37) | ALDH1A1MEN1USP2MAPTKMT2A | |
| SCHEMBL24072257 | 0.75 | EPHX1 (0.73) | ALDH1A1EPHX1EPHX2 | |
| SCHEMBL12360833 | 0.75 | EPHX1 (0.73) | ALDH1A1EPHX1EPHX2 | |
| SCHEMBL5143720 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |