Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3562191 | 0.85 | GPR119 (0.48) | ALDH1A1TP53THRB | |
| SCHEMBL13117233 | 0.82 | HTR3E (0.45) | — | |
| SCHEMBL4242253 | 0.79 | ALDH1A1 (0.46) | ALDH1A1USP2MAPTTP53LMNA | |
| SCHEMBL631962 | 0.69 | ALDH1A1 (0.69) | ALDH1A1USP2MAPTLMNANPSR1 | |
| Hydrochloric Acid SCHEMBL5492248 | 0.68 | ALDH1A1 (0.67) | ALDH1A1USP2MAPTLMNANPSR1 | |
| SCHEMBL3564931 | 0.68 | CKS1B (0.54) | ALDH1A1MAPTTP53LMNATHRB | |
| SCHEMBL27643066 | 0.66 | AKR1C3 (0.68) | MAPTKMT2AMEN1 | |
| SCHEMBL2890817 | 0.66 | HTT (0.52) | ALDH1A1USP2MAPTTP53LMNA | |
| SCHEMBL13117125 | 0.65 | GPR119 (0.49) | ALDH1A1MAPTTP53LMNATHRB | |
| SCHEMBL3560832 | 0.65 | GPR119 (0.49) | ALDH1A1MAPTTP53LMNATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010525-B1 | Diketo-piperazine and piperidine derivatives as antiviral agents | BRISTOL MYERS SQUIBB CO (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2010525-A2 | DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS | Brystol-Myers Squibb Company (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007127635-A2 | DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-08 | — | — | WO | disclosed |