Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.90 |
| ▸ | MAPT | P10636 | 1/20 | 0.74 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | ALB | P02768 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL187922 | 0.83 | ALDH1A1 (0.72) | ALDH1A1MAPTLMNAALBCYP2C9 | |
| Acetic Acid SCHEMBL28872224 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNAALBCYP2C9 | |
| SCHEMBL14135605 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MAPTUSP2LMNAL3MBTL1 | |
| Tolbutamide SCHEMBL1536920 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPTLMNAALBCYP2C9 | |
| Tolbutamide SCHEMBL15918 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPTLMNAALBCYP2C9 | |
| SCHEMBL28224297 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MAPTUSP2LMNAL3MBTL1 | |
| SCHEMBL4611315 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MAPTUSP2LMNAL3MBTL1 | |
| SCHEMBL20088132 | 0.80 | RAB9A (0.82) | ALDH1A1MAPTUSP2L3MBTL1MEN1 | |
| Tolbutamide SCHEMBL11356450 | 0.80 | ALDH1A1 (0.97) | ALDH1A1MAPTLMNAALBCYP2C9 | |
| Tolbutamide SCHEMBL140363 | 0.80 | ALDH1A1 (0.97) | ALDH1A1MAPTLMNAALBCYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0700380-B1 | N-ALKYLTHIO POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS | MERRELL PHARMA INC (US) | 1998-06-24 | — | — | EP | disclosed |
| CN-1124483-A | N-alkylthio polyamine derivatives as radioprotective agents | MERRELL DOW PHARMA (US) | 1996-06-12 | — | — | CN | disclosed |
| EP-0700380-A1 | N-ALKYLTHIO POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-03-13 | — | — | EP | disclosed |
| US-5434145-A | N-alkythio polyamine derivatives as radioprotective agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-07-18 | — | — | US | disclosed |
| WO-1994027961-A1 | N-ALKYLTHIO POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS | MERRELL DOW PHARMACEUTIALS INC. (US) | 1994-12-08 | — | — | WO | disclosed |