Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3218534 | 0.75 | SIGMAR1 (0.47) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL10262038 | 0.73 | SIGMAR1 (0.79) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11064048 | 0.71 | TAAR1 (0.46) | CYP1A2MEN1ALDH1A1KMT2AKCNH2 | |
| SCHEMBL14614777 | 0.71 | SIGMAR1 (0.64) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL11277467 | 0.71 | SIGMAR1 (0.64) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL28289191 | 0.69 | TAAR1 (0.41) | MEN1ALDH1A1KMT2ATSHR | |
| SCHEMBL13206634 | 0.69 | TDP1 (0.44) | MEN1ALDH1A1MAPTKMT2AL3MBTL1 | |
| SCHEMBL5681292 | 0.68 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL2830423 | 0.68 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL4756582 | 0.67 | KMT2A (0.40) | ALDH1A1MAPTKMT2AL3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007726-B1 | BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | disclosed |