Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1587962 | 0.84 | SIGMAR1 (0.59) | CYP2D6SIGMAR1CYP3A4TSHRTP53 | |
| SCHEMBL9049446 | 0.82 | SIGMAR1 (0.49) | CYP2D6SIGMAR1CYP3A4TSHRDRD2 | |
| SCHEMBL3217199 | 0.80 | SIGMAR1 (0.51) | CYP2D6SIGMAR1CYP3A4TSHRTP53 | |
| SCHEMBL1587952 | 0.74 | SIGMAR1 (0.57) | CYP2D6SIGMAR1CYP3A4TSHRTP53 | |
| SCHEMBL6628811 | 0.73 | SIGMAR1 (0.48) | CYP2D6SIGMAR1CYP3A4TSHRTP53 | |
| SCHEMBL28605146 | 0.72 | ITGB2 (0.43) | ALDH1A1 | |
| SCHEMBL14385756 | 0.72 | KCNH2 (0.52) | SIGMAR1 | |
| SCHEMBL21167264 | 0.72 | S1PR5 (0.61) | — | |
| SCHEMBL30353245 | 0.70 | ITGB2 (0.44) | KMT2A | |
| SCHEMBL6634600 | 0.70 | S1PR5 (0.44) | SIGMAR1HTR2A |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |