Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL128117 | 0.93 | — | — | |
| SCHEMBL10409924 | 0.93 | CA1 (0.38) | CA1CA2CYP3A4TSHRNFKB1 | |
| SCHEMBL10408913 | 0.93 | — | — | |
| Lithium Ion SCHEMBL10408805 | 0.93 | — | — | |
| SCHEMBL8605846 | 0.93 | CA1 (0.38) | CA1CA2CYP3A4TSHRNFKB1 | |
| SCHEMBL10410220 | 0.93 | — | — | |
| Potassium Ion SCHEMBL7035134 | 0.93 | — | — | |
| SCHEMBL10410195 | 0.93 | CA1 (0.38) | CA1CA2CYP3A4TSHRNFKB1 | |
| SCHEMBL10409895 | 0.93 | CA1 (0.38) | CA1CA2CYP3A4TSHRNFKB1 | |
| Zinc Ion SCHEMBL28700463 | 0.93 | CA1 (0.38) | CA1CA2CYP3A4TSHRNFKB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5639906-A | Fluorescent and NMR sensitive pH indicators | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-06-17 | — | — | US | disclosed |