Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3568463 | 0.86 | GPR119 (0.50) | ALDH1A1LMNAMAPTTP53POLB | |
| SCHEMBL13117238 | 0.80 | KHK (0.48) | LMNAMAPT | |
| SCHEMBL4242255 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL3564931 | 0.71 | CKS1B (0.54) | ALDH1A1LMNAMAPTTP53 | |
| SCHEMBL631962 | 0.70 | ALDH1A1 (0.69) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL5492248 | 0.69 | ALDH1A1 (0.67) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL3560832 | 0.69 | GPR119 (0.49) | ALDH1A1LMNAMAPTTP53POLB | |
| SCHEMBL13117125 | 0.69 | GPR119 (0.49) | ALDH1A1LMNAMAPTTP53 | |
| SCHEMBL4319359 | 0.68 | KMT2A (0.63) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL3562191 | 0.68 | GPR119 (0.48) | ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |