Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL498155 | 1.00 | TSHR (0.56) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL20198601 | 1.00 | TSHR (0.56) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7609840 | 0.98 | TSHR (0.54) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL289131 | 0.97 | CYP1A2 (0.52) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3705397 | 0.95 | CYP1A2 (0.50) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL430341 | 0.92 | — | — | |
| Sulfuric Acid SCHEMBL4208350 | 0.91 | CYP1A2 (0.48) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL22342626 | 0.88 | USP2 (0.46) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL4115624 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL16666607 | 0.84 | — | — |
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 |