Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23123770 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL18831876 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL592819 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL23183440 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL28459588 | 0.75 | ALDH1A1 (0.40) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL22702884 | 0.71 | ALDH1A1 (0.40) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL14313350 | 0.70 | TSHR (0.51) | ALDH1A1MEN1KMT2ARAB9AMAPT | |
| SCHEMBL22492538 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HTTPGRMEN1KMT2A | |
| SCHEMBL13315859 | 0.68 | HTR2C (0.39) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL23376738 | 0.67 | ALDH1A1 (0.36) | ALDH1A1HTTPGRMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901652-A | Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-08-12 | — | — | CN | disclosed |
| EP-4031540-A1 | SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |