Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16759084 | 0.85 | MEN1 (0.51) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL18297996 | 0.82 | SMN1; SMN2 (0.76) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL19614565 | 0.81 | RBP4 (0.44) | SMN1; SMN2ALDH1A1GAATP53CASP3 | |
| SCHEMBL19614560 | 0.81 | RBP4 (0.44) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL31136430 | 0.80 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL31264719 | 0.80 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL14932060 | 0.79 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL17224434 | 0.78 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL28606429 | 0.78 | HTT (0.47) | SMN1; SMN2ALDH1A1GAATSHRMEN1 | |
| SCHEMBL31264796 | 0.78 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1GAATSHRMEN1 |
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-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |