Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6444302 | 0.88 | ALDH1A1 (0.45) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL4886752 | 0.83 | S1PR1 (0.51) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL25548978 | 0.83 | S1PR1 (0.51) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL6443709 | 0.82 | ALDH1A1 (0.40) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL9996390 | 0.80 | ALDH1A1 (0.42) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL12064295 | 0.79 | ALDH1A1 (0.47) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL12064296 | 0.79 | ALDH1A1 (0.47) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL10181568 | 0.79 | ALDH1A1 (0.47) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| Cyanide SCHEMBL30330584 | 0.78 | S1PR1 (0.48) | ALDH1A1S1PR1S1PR3S1PR5L3MBTL1 | |
| SCHEMBL11195670 | 0.78 | CYP1A2 (0.50) | ALDH1A1 |
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-4405623-A | HYPOTENSIVE AGENTS, VASODILATORS | MASAYUKI ISHIKAWA (JP) | 1983-09-20 | — | — | US | disclosed |
| EP-0040793-A1 | Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof | Ishikawa, Masayuki (JP) | 1981-12-02 | — | — | EP | disclosed |