Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30675350 | 0.98 | ALDH1A1 (0.41) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL28526308 | 0.98 | ALDH1A1 (0.41) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL28521203 | 0.98 | ALDH1A1 (0.41) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL29530296 | 0.93 | CYP1A2 (0.37) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL20424119 | 0.93 | CYP1A2 (0.37) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL4751832 | 0.89 | ALDH1A1 (0.36) | ALDH1A1POLBSMN1; SMN2HTTTSHR | |
| SCHEMBL12283406 | 0.84 | ALDH1A1 (0.45) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL12282193 | 0.84 | ALDH1A1 (0.45) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| SCHEMBL390019 | 0.84 | ALDH1A1 (0.45) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL27849320 | 0.83 | ALDH1A1 (0.44) | ALDH1A1POLBHSD11B1SMN1; SMN2MAPT |
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 |