Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL27843360 | 0.95 | SMN1; SMN2 (0.47) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL27042420 | 0.82 | ALDH1A1 (0.51) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL28920094 | 0.81 | SMN1; SMN2 (0.52) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL16372067 | 0.75 | ALDH1A1 (0.54) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL3647432 | 0.73 | RAB9A (0.44) | ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1 | |
| SCHEMBL4948074 | 0.73 | RAB9A (0.44) | ALDH1A1MEN1KMT2ALMNANPC1 | |
| SCHEMBL26132552 | 0.73 | ALDH1A1 (0.51) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL31589528 | 0.72 | ALDH1A1 (0.50) | ALDH1A1POLBSMN1; SMN2GAAMEN1 | |
| SCHEMBL13952802 | 0.72 | GRM5 (0.43) | CYP1A2CYP3A4 | |
| SCHEMBL27792151 | 0.72 | PARP1 (0.46) | ALDH1A1MEN1KMT2ALMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021026803-A1 | PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |