Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL6472763 | 0.82 | SIGMAR1 (0.52) | SIGMAR1TP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10152976 | 0.73 | OTUD7B (0.42) | SIGMAR1 | |
| SCHEMBL6215031 | 0.71 | SIGMAR1 (0.57) | SIGMAR1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL31212132 | 0.70 | OTUD7B (0.40) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL18181144 | 0.70 | OTUD7B (0.40) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28785987 | 0.69 | OTUD7B (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25590797 | 0.68 | SIGMAR1 (0.49) | SIGMAR1TMEM97BACE1MAPTOPRM1 | |
| SCHEMBL7010528 | 0.68 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25275576 | 0.68 | MAP4K1 (0.38) | SIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL31456439 | 0.68 | MAP4K1 (0.38) | SIGMAR1CYP1A2CYP3A4 |
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-2005016913-A1 | TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS | PFIZER JAPAN, INC. (JP) | 2005-02-24 | — | — | WO | disclosed |