Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 6/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | HTR1B | P28222 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.49 |
| ▸ | HTR2A | P28223 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | HTR6 | P50406 | 3/20 | 0.49 |
| ▸ | SCN1A | P35498 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18651710 | 0.86 | NR2E1 (0.68) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL8912914 | 0.84 | NR2E1 (0.66) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL14477157 | 0.80 | NR2E1 (0.60) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL19440598 | 0.80 | NR2E1 (1.00) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL12932618 | 0.80 | NR2E1 (0.60) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL14461598 | 0.79 | NR2E1 (0.62) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL8912134 | 0.79 | NR2E1 (0.59) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL9329804 | 0.78 | CYP1A2 (0.73) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL8915412 | 0.77 | NR2E1 (0.57) | NR2E1CYP1A2KDM4EMEN1CYP2C19 | |
| SCHEMBL7973992 | 0.77 | NR2E1 (0.60) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614548-A | TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS | WAKE FOREST UNIVERSITY (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1990004918-A2 | QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS | WAKE FOREST UNIVERSITY (US) | 1990-05-17 | — | — | WO | disclosed |