Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | GRM8 | O00222 | 1/20 | 0.41 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20104827 | 0.87 | BLM (0.42) | CYP1A2LMNATSHRUSP2ALDH1A1 | |
| SCHEMBL20104759 | 0.81 | MME (0.39) | CYP1A2GRIK1LMNATSHRUSP2 | |
| SCHEMBL20104772 | 0.79 | GSR (0.44) | CYP1A2GSRFOLH1LMNATSHR | |
| SCHEMBL20104750 | 0.79 | TSHR (0.35) | CYP1A2LMNATSHRUSP2ALDH1A1 | |
| SCHEMBL27690078 | 0.78 | GABRP (0.33) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL27705856 | 0.76 | MEN1 (0.35) | TSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL20104799 | 0.76 | USP2 (0.33) | CYP1A2LMNATSHRUSP2ALDH1A1 | |
| SCHEMBL20104758 | 0.74 | SLC7A5 (0.41) | CYP1A2SLC1A3SLC1A2LMNATSHR | |
| SCHEMBL20104707 | 0.74 | — | — | |
| SCHEMBL28598437 | 0.70 | FOLH1 (0.37) | CYP1A2TET2KDM4AKDM4CKDM2A |
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 |