Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025148 | 1.00 | TSHR (0.38) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025602 | 1.00 | TSHR (0.38) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025142 | 1.00 | TSHR (0.38) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025562 | 1.00 | TSHR (0.38) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9026603 | 0.70 | TSHR (0.39) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9026613 | 0.70 | TSHR (0.39) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9026599 | 0.70 | TSHR (0.39) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL25347431 | 0.67 | TSHR (0.45) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9565493 | 0.67 | MMP1 (0.39) | TSHRTAAR1LMNA | |
| SCHEMBL9565490 | 0.67 | MMP1 (0.39) | TSHRTAAR1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458363-B1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | SQUIBB & SONS INC (US) | 1996-02-07 | — | — | EP | disclosed |
| WO-1991018969-A1 | FLUORINATED BIS(HYDROXYMETHYL)CYCLOBUTYL PURINES AND PYRIMIDINES | E.R. SQUIBB & SONS, INC. (US) | 1991-12-12 | — | — | WO | disclosed |
| EP-0458363-A1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | disclosed |