Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22507947 | 0.82 | SIGMAR1 (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31058303 | 0.82 | SIGMAR1 (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28894750 | 0.82 | SIGMAR1 (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6697562 | 0.80 | GHSR (0.33) | CYP2D6CYP1A2CHRNB4CHRNA3FDPS | |
| Hydrochloric Acid SCHEMBL22409334 | 0.80 | KMT2A (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6692745 | 0.80 | GHSR (0.33) | CYP2D6CYP1A2CHRNB4CHRNA3FDPS | |
| Hydrochloric Acid SCHEMBL31058323 | 0.80 | KMT2A (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6695910 | 0.80 | GHSR (0.33) | CYP2D6CYP1A2CHRNB4CHRNA3FDPS | |
| SCHEMBL11990404 | 0.80 | DRD3 (0.41) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10464188 | 0.77 | ACHE (0.47) | CHRM2CHRM4CHRM3HTR2AOPRM1 |
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-2023086432-A1 | PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF | EMORY UNIVERSITY (US) | 2023-05-19 | — | — | WO | disclosed |