Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11670327 | 0.89 | NPSR1 (0.33) | ALDH1A1MEN1MAPTKMT2ACES2 | |
| SCHEMBL20541476 | 0.89 | ALDH1A1 (0.34) | ALDH1A1MEN1MAPTKMT2ACES2 | |
| SCHEMBL30797168 | 0.81 | CES2 (0.38) | ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL20541540 | 0.79 | CES2 (0.31) | ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL13966480 | 0.78 | CES2 (0.51) | ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL15013740 | 0.78 | CES2 (0.51) | ALDH1A1CES2ALOX15CYP1B1 | |
| SCHEMBL14848325 | 0.77 | MEN1 (0.34) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL14836190 | 0.77 | MEN1 (0.34) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL14836526 | 0.77 | MEN1 (0.34) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL11172722 | 0.77 | CES2 (0.30) | ALDH1A1CES2ALOX15CYP1B1 |
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-4060639-A | Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4049417-A | CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS | MERCK & CO., INC. (US) | 1977-09-20 | — | — | US | disclosed |