Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.40 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155631 | 0.80 | ATM (0.46) | ATMTDP1ALDH1A1MAPTLMNA | |
| SCHEMBL4940492 | 0.78 | EPAS1 (0.56) | ATMTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL30615510 | 0.78 | EPAS1 (0.56) | ATMTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4939342 | 0.75 | EPAS1 (0.60) | ATMTDP1ALDH1A1MAPTLMNA | |
| SCHEMBL20155539 | 0.74 | GAA (0.40) | TDP1ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL20155540 | 0.74 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2KMT2ASOS1 | |
| SCHEMBL11735174 | 0.74 | TDP1 (0.53) | ATMTDP1ALDH1A1MAPTLMNA | |
| SCHEMBL16067604 | 0.73 | ALDH1A1 (0.53) | ATMTDP1ALDH1A1MAPTLMNA | |
| SCHEMBL3602490 | 0.72 | ATM (0.51) | ATMTDP1ALDH1A1MAPTLMNA | |
| SCHEMBL17075518 | 0.72 | ATM (0.47) | ATMTDP1ALDH1A1MAPTLMNA |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |