Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20104750 | 0.79 | TSHR (0.35) | ALDH1A1LMNAMMECACNA2D1USP2 | |
| SCHEMBL20104759 | 0.77 | MME (0.39) | ALDH1A1LMNAMMECACNA2D1GABRR1 | |
| SCHEMBL20104799 | 0.76 | USP2 (0.33) | ALDH1A1LMNAMMECACNA2D1USP2 | |
| SCHEMBL20104770 | 0.74 | CYP1A2 (0.41) | SLC1A3SLC1A2ALDH1A1LMNACACNA2D1 | |
| SCHEMBL24555315 | 0.74 | MME (0.34) | SLC7A5ALDH1A1LMNAMMECACNA2D1 | |
| SCHEMBL22597349 | 0.74 | MME (0.34) | SLC7A5ALDH1A1LMNAMMECACNA2D1 | |
| SCHEMBL21563503 | 0.74 | MME (0.34) | SLC7A5ALDH1A1LMNAMMECACNA2D1 | |
| SCHEMBL22801268 | 0.74 | MME (0.34) | SLC7A5ALDH1A1LMNAMMECACNA2D1 | |
| SCHEMBL22982826 | 0.74 | MME (0.34) | SLC7A5ALDH1A1LMNAMMECACNA2D1 | |
| SCHEMBL20198584 | 0.74 | MME (0.34) | SLC7A5ALDH1A1LMNAMMECACNA2D1 |
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 |