Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL21831526 | 0.85 | ALDH1A1 (0.38) | ALDH1A1NR3C2SIGMAR1MEN1LMNA | |
| SCHEMBL25883261 | 0.82 | NR3C2 (0.39) | ALDH1A1NR3C2MEN1LMNAKMT2A | |
| SCHEMBL21910398 | 0.81 | SIGMAR1 (0.48) | ALDH1A1NR3C2SIGMAR1MEN1LMNA | |
| SCHEMBL25138125 | 0.80 | TACR1 (0.40) | ALDH1A1NR3C2MEN1KMT2A | |
| SCHEMBL27171298 | 0.76 | CETP (0.36) | ALDH1A1NR3C2SIGMAR1MEN1LMNA | |
| Hydrochloric Acid SCHEMBL27171281 | 0.73 | SIGMAR1 (0.41) | ALDH1A1NR3C2SIGMAR1MEN1LMNA | |
| SCHEMBL15958552 | 0.72 | KDM4E (0.56) | ALDH1A1SIGMAR1LMNA | |
| SCHEMBL30809603 | 0.72 | TACR1 (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL9839486 | 0.71 | OPRD1 (0.41) | LMNA | |
| SCHEMBL15063231 | 0.70 | LMNA (0.71) | ALDH1A1NR3C2MEN1LMNAKMT2A |
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-2021133749-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-01 | — | — | WO | disclosed |