Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1073402 | 0.96 | GRIN1 (0.43) | GRIN1GRIN2AGRIN2DGRIN3BGRIN2B | |
| SCHEMBL28118949 | 0.89 | EPHX2 (0.39) | GRIN1GRIN2AGRIN2DGRIN3BGRIN2B | |
| SCHEMBL5608709 | 0.87 | CRHBP (0.41) | CRHBPCRHR2 | |
| SCHEMBL5608342 | 0.86 | CRHBP (0.36) | GRIN1GRIN2AGRIN2DGRIN3BGRIN2B | |
| SCHEMBL6228624 | 0.86 | GRIN1 (0.58) | GRIN1GRIN2AGRIN2DGRIN3BGRIN2B | |
| SCHEMBL5608320 | 0.82 | TSHR (0.39) | LMNACRHBPCRHR2EPHX2MAPT | |
| SCHEMBL6227897 | 0.78 | KMT2A (0.38) | HTTMEN1KMT2AEPHX2MAPT | |
| SCHEMBL6232248 | 0.75 | GRIN1 (0.39) | GRIN1GRIN2AGRIN2DGRIN3BGRIN2B | |
| SCHEMBL5607875 | 0.75 | CRHBP (0.38) | CRHBPCRHR2 | |
| SCHEMBL7173119 | 0.75 | CRHBP (0.45) | CRHBPCRHR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39744-E1 | Adamantane derivatives and process for producing them | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2007-07-24 | — | — | US | disclosed |
| US-6392104-B1 | CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-05-21 | — | — | US | disclosed |
| EP-0927711-A1 | ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM | Daicel Chemical Industries, Ltd. (JP) | 1999-07-07 | — | — | EP | disclosed |