Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8412640 | 0.86 | — | — | |
| SCHEMBL2362925 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL6569470 | 0.79 | CYP1A2 (0.46) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL30446032 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL11143218 | 0.77 | CYP1A2 (0.43) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL10911649 | 0.76 | CYP1A2 (0.41) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL27722887 | 0.76 | POLB (0.41) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL11850440 | 0.76 | MGLL (0.42) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL11169576 | 0.76 | MGLL (0.42) | ALDH1A1LMNAL3MBTL1HTTMGLL | |
| SCHEMBL8411971 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5859030-A | Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-01-12 | — | — | US | disclosed |