Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20104721 | 1.00 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B | |
| SCHEMBL23740301 | 0.74 | PDE7A (0.44) | — | |
| SCHEMBL20198627 | 0.74 | PDE7A (0.44) | — | |
| SCHEMBL20104745 | 0.74 | PDE7A (0.44) | — | |
| SCHEMBL28378542 | 0.70 | ESR1 (0.58) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B | |
| SCHEMBL30877914 | 0.70 | ESR1 (0.58) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B | |
| SCHEMBL868923 | 0.70 | SLC6A4 (0.50) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B | |
| SCHEMBL30078304 | 0.70 | ESR1 (0.58) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B | |
| SCHEMBL24157288 | 0.70 | ESR1 (0.58) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B | |
| SCHEMBL30877902 | 0.70 | ESR1 (0.58) | SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B |
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-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |