Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 7/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HTR1B | P28222 | 6/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.57 |
| ▸ | HTR2B | P41595 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.57 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | HTR2C | P28335 | 3/20 | 0.57 |
| ▸ | HTR6 | P50406 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | SCN1A | P35498 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL13727780 | 0.86 | NR2E1 (0.60) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL5031818 | 0.85 | NR2E1 (0.64) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL29829725 | 0.85 | NR2E1 (0.64) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL9330571 | 0.83 | CYP2D6 (0.68) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL1264131 | 0.82 | NR2E1 (0.69) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL29029003 | 0.82 | NR2E1 (0.61) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL9244006 | 0.82 | NR2E1 (0.60) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL14461598 | 0.81 | NR2E1 (0.62) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL8644783 | 0.81 | CYP1A2 (0.61) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| Hydrochloric Acid SCHEMBL28293639 | 0.81 | NR2E1 (0.68) | NR2E1CYP1A2KDM4EMEN1CYP2C19 |
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-2001017993-A1 | ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT | EGIS Gyógyszergyár Rt. (HU) | 2001-03-15 | — | — | WO | disclosed |