Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.83 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.83 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1164041 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL16012975 | 0.78 | KMT2A (0.67) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL1939210 | 0.76 | ALDH1A1 (0.51) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL5626348 | 0.75 | KMT2A (0.58) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL6988457 | 0.74 | KMT2A (0.74) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL6985860 | 0.74 | KMT2A (0.74) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL3699519 | 0.74 | KMT2A (0.57) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL24811483 | 0.73 | CYP2D6 (0.72) | ALDH1A1KMT2ATSHRNPSR1CYP2C9 | |
| SCHEMBL1164490 | 0.73 | KMT2A (0.48) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 | |
| SCHEMBL6989865 | 0.73 | KMT2A (0.58) | ALDH1A1KMT2ATSHRMEN1SMN1; SMN2 |
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-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |