Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7649869 | 0.82 | ALDH1A1 (0.54) | ALDH1A1USP2TSHRNPC1TP53 | |
| SCHEMBL13627867 | 0.79 | ALDH1A1 (0.56) | ALDH1A1USP2TSHRNPC1TP53 | |
| SCHEMBL12633370 | 0.77 | ALDH1A1 (0.58) | ALDH1A1USP2TSHRNPC1TP53 | |
| SCHEMBL1399147 | 0.77 | USP2 (0.60) | ALDH1A1USP2TSHRMEN1KMT2A | |
| SCHEMBL18622732 | 0.77 | ANPEP (0.38) | ALDH1A1USP2TSHRHDAC1HDAC6 | |
| SCHEMBL14752403 | 0.77 | ANPEP (0.38) | ALDH1A1USP2TSHRHDAC1HDAC6 | |
| SCHEMBL28775870 | 0.73 | DPP7 (0.56) | FNTAFNTBDPP7 | |
| SCHEMBL8166717 | 0.73 | — | — | |
| SCHEMBL16889130 | 0.72 | TSHR (0.48) | ALDH1A1USP2TSHRHPGDRAB9A | |
| SCHEMBL18837464 | 0.72 | DPP7 (0.50) | FNTAFNTBDPP7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1513814-B1 | NOVEL PIPERIDINE COMPOUND | MITSUBISHI TANABE PHARMA CORP (JP) | 2010-03-17 | — | — | EP | disclosed |