Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.44 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 13/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20104770 | 0.79 | CYP1A2 (0.41) | GSRFOLH1USP2ALDH1A1LMNA | |
| SCHEMBL20104707 | 0.78 | — | — | |
| SCHEMBL20104827 | 0.77 | BLM (0.42) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL20104750 | 0.76 | TSHR (0.35) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL20805090 | 0.75 | GSR (0.47) | GSRRNPEPCPB2FOLH1GABRR1 | |
| SCHEMBL20104759 | 0.74 | MME (0.39) | GABRR1USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL20104799 | 0.73 | USP2 (0.33) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL20104758 | 0.71 | SLC7A5 (0.41) | RNPEPGABRR1USP2ALDH1A1LMNA | |
| Lysine SCHEMBL23728835 | 0.70 | GSR (0.87) | GSRRNPEPCPB2CYP1A2TSHR | |
| Lysine SCHEMBL18986644 | 0.70 | GSR (0.87) | GSRRNPEPCPB2CYP1A2TSHR |
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 |