Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14477157 | 0.82 | NR2E1 (0.60) | NR2E1CYP2D6CYP1A2KDM4EMEN1 | |
| SCHEMBL6298086 | 0.78 | NR2E1 (0.46) | NR2E1CYP2D6CYP1A2KDM4EMEN1 | |
| SCHEMBL19683350 | 0.77 | AGXT (0.42) | CYP1A2KDM4ETSHRMAPK1CYP2C9 | |
| SCHEMBL7129651 | 0.76 | HTR1B (0.40) | HTR2ASLC6A4HTR1AHTR1BHTR1D | |
| SCHEMBL3819696 | 0.76 | MTNR1A (0.51) | CYP1A2KDM4EHTR1AHTR1BSMN1; SMN2 | |
| SCHEMBL7562100 | 0.75 | NQO1 (0.37) | NR2E1CYP2D6KDM4EMEN1KMT2A | |
| SCHEMBL19683548 | 0.74 | NR2E1 (0.40) | NR2E1CYP2D6CYP1A2KDM4EMEN1 | |
| SCHEMBL15772597 | 0.73 | MTNR1A (0.49) | KDM4EMEN1KMT2AHTR2AALDH1A1 | |
| SCHEMBL10604096 | 0.73 | KCNA3 (0.54) | SLC6A4HTR1AHTR1BTDP1HTR1D | |
| SCHEMBL15772531 | 0.73 | MTNR1A (0.52) | HTR1AHTR1BHTR1DMTNR1A |
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-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |