Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30148463 | 0.94 | SMN1; SMN2 (0.38) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL6203664 | 0.91 | ALDH1A1 (0.40) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL20502998 | 0.79 | OPRM1 (0.38) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL3525539 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL25228494 | 0.78 | NPSR1 (0.45) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL19348569 | 0.78 | POLB (0.43) | SMN1; SMN2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL19216894 | 0.77 | GAA (0.48) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL20502054 | 0.77 | NPC1 (0.40) | MEN1KMT2APOLBOPRM1ATM | |
| SCHEMBL19360778 | 0.76 | LMNA (0.35) | ALDH1A1POLBLMNAHSD17B10ATM | |
| SCHEMBL19348572 | 0.76 | POLB (0.35) | MEN1KMT2AALDH1A1POLBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795146-A | Isoxazole derivatives as inhibitors of mutant isocitrate dehydrogenase 1 | 第三共株式会社 | 2017-05-31 | — | — | CN | disclosed |