Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990373 | 0.78 | CHRNB2 (0.46) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9876612 | 0.69 | SLC6A2 (0.35) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL34468465 | 0.66 | OPRL1 (0.50) | OPRL1OPRM1OPRK1GRIN2BOPRD1 | |
| SCHEMBL11467643 | 0.66 | OPRL1 (0.47) | OPRL1OPRM1OPRK1GRIN2BCYP1A2 | |
| SCHEMBL6493723 | 0.66 | MEN1 (0.40) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6493726 | 0.66 | MEN1 (0.40) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL16823462 | 0.65 | OPRL1 (0.45) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9876519 | 0.65 | POLB (0.46) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9022765 | 0.64 | OPRL1 (0.48) | OPRL1OPRM1OPRK1OPRD1TSHR | |
| SCHEMBL2708067 | 0.63 | — | — |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |