Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.48 |
| ▸ | TACR1 | P25103 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268419 | 0.83 | SLC6A4 (0.68) | SLC6A4SLC6A2OPRD1SLC6A3KCNH2 | |
| SCHEMBL29092017 | 0.78 | SIGMAR1 (0.46) | OPRD1TACR1 | |
| SCHEMBL3246700 | 0.77 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3KCNH2CYP3A4 | |
| SCHEMBL2962625 | 0.75 | OPRM1 (0.65) | SLC6A4SLC6A2OPRD1SLC6A3KCNH2 | |
| SCHEMBL28187151 | 0.74 | SLC6A4 (0.56) | SLC6A4SLC6A2OPRD1SLC6A3KCNH2 | |
| SCHEMBL5550813 | 0.73 | CHRM5 (0.48) | — | |
| SCHEMBL1691475 | 0.72 | SLC6A9 (0.74) | OPRD1CACNA1COPRM1 | |
| SCHEMBL13185789 | 0.72 | SIGMAR1 (0.72) | KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5556374 | 0.72 | CHRM5 (0.47) | — | |
| SCHEMBL472213 | 0.72 | CHRM5 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994006805-A1 | BORON-GADOLINIUM COMPOUNDS AND METHOD OF CONDUCTING IMAGING AND/OR NEUTRON CAPTURE THERAPY WITH SAME | BORON BIOLOGICALS, INCORPORATED (US) | 1994-03-31 | — | — | WO | disclosed |
| US-5286853-A | Boron-gadolinium compounds and method of conducting imaging and/or neutron capture therapy with same | BORON BIOLOGICALS, INC. (US) | 1994-02-15 | — | — | US | disclosed |