Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | ALPG | P10696 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL934485 | 0.78 | TP53 (0.44) | CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL8412647 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL8409690 | 0.77 | IDO1 (0.44) | CYP1A2ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL22305170 | 0.74 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL27577717 | 0.71 | CYP3A4 (0.46) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL9130586 | 0.71 | CYP3A4 (0.58) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL1145278 | 0.70 | — | — | |
| SCHEMBL7810644 | 0.70 | NOS1 (0.50) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL29259554 | 0.69 | CYP3A4 (1.00) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL9150145 | 0.69 | CYP3A4 (0.70) | CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1 |
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-5859030-A | Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-01-12 | — | — | US | disclosed |
| WO-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |