Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2231346 | 0.77 | ALDH1A1 (0.40) | ALDH1A1LMNASMN1; SMN2POLBMEN1 | |
| SCHEMBL22308707 | 0.72 | ALDH1A1 (0.38) | ALDH1A1LMNASMN1; SMN2CYP2C19 | |
| SCHEMBL28249834 | 0.71 | CYP3A4 (0.43) | SLC6A4ALDH1A1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL25890496 | 0.71 | CYP3A4 (0.43) | SLC6A4ALDH1A1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL17356488 | 0.68 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22325264 | 0.68 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2CYP2C19POLB | |
| SCHEMBL856786 | 0.67 | ALDH1A1 (0.36) | ALDH1A1LMNASMN1; SMN2POLBMEN1 | |
| SCHEMBL1795269 | 0.65 | ALDH1A1 (0.39) | ALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL16596944 | 0.65 | — | — | |
| SCHEMBL18923604 | 0.65 | — | — |
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-9670194-B2 | Substituted aminopyrimidine compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2017-06-06 | — | — | US | disclosed |