Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIA | P62937 | 9/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | PPIF | P30405 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.34 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9122341 | 0.85 | PPIA (0.51) | PPIASIGMAR1PPIFACHEGRIN2D | |
| SCHEMBL9127905 | 0.85 | PPIA (0.45) | PPIASIGMAR1PPIFALDH1A1SMN1; SMN2 | |
| SCHEMBL9126127 | 0.84 | PPIA (0.45) | PPIASIGMAR1PPIFRAB9ASGMS2 | |
| SCHEMBL9124036 | 0.83 | PPIF (0.48) | PPIASIGMAR1PPIFALDH1A1SGMS2 | |
| SCHEMBL9128712 | 0.82 | PPIA (0.43) | PPIASIGMAR1PPIFALDH1A1SGMS2 | |
| SCHEMBL9125077 | 0.82 | PPIA (0.62) | PPIAPPIFC5AR1 | |
| SCHEMBL9125719 | 0.81 | PPIA (0.40) | PPIASIGMAR1PPIFRAB9AALDH1A1 | |
| SCHEMBL9127446 | 0.81 | SGMS2 (0.46) | PPIASIGMAR1PPIFRAB9AALDH1A1 | |
| SCHEMBL9124791 | 0.80 | NPC1 (0.51) | PPIASIGMAR1PPIFRAB9AALDH1A1 | |
| SCHEMBL9124960 | 0.80 | PPIA (0.47) | PPIASIGMAR1PPIFHPGDSGMS2 |
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-5409943-A | [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1995-04-25 | — | — | US | disclosed |