Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A2 | P43004 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL23579037 | 0.82 | SIGMAR1 (0.47) | SLC1A2KCNH2EHMT2MLNRCYP3A4 | |
| SCHEMBL23599619 | 0.81 | HRH3 (0.47) | SLC1A2KCNH2HRH3MLNRCYP3A4 | |
| SCHEMBL23599575 | 0.73 | MAPT (0.54) | KCNH2HRH3MLNRCYP3A4XIAP | |
| SCHEMBL23579491 | 0.72 | CYP2D6 (0.35) | SLC1A2KCNH2EHMT2CYP3A4CYP2D6 | |
| SCHEMBL7437112 | 0.72 | HRH3 (0.58) | KCNH2HRH3CYP3A4CYP2D6MAPK1 | |
| SCHEMBL4505701 | 0.71 | HRH3 (0.48) | KCNH2HRH3MLNRXIAPCYP2D6 | |
| SCHEMBL3877345 | 0.71 | HRH3 (0.48) | KCNH2HRH3MLNRXIAPCYP2D6 | |
| SCHEMBL4088775 | 0.71 | HRH3 (0.48) | KCNH2HRH3MLNRXIAPCYP2D6 | |
| SCHEMBL13749400 | 0.71 | HRH3 (0.51) | KCNH2HRH3MLNRCYP3A4CYP2D6 | |
| SCHEMBL13749891 | 0.71 | HRH3 (0.51) | KCNH2HRH3MLNRCYP3A4CYP2D6 |
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 |