Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9026613 | 1.00 | TSHR (0.39) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9026603 | 1.00 | TSHR (0.39) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025579 | 0.85 | TSHR (0.41) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025573 | 0.85 | TSHR (0.41) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9565490 | 0.81 | MMP1 (0.39) | TSHRTAAR1LMNAMMP1MMP2 | |
| SCHEMBL9565493 | 0.81 | MMP1 (0.39) | TSHRTAAR1LMNAMMP1MMP2 | |
| SCHEMBL8782116 | 0.71 | CES2 (0.45) | TSHRLMNAALDH1A1 | |
| SCHEMBL22110584 | 0.70 | TSHR (0.58) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025569 | 0.70 | TSHR (0.38) | TSHRTAAR1LMNABCHEACHE | |
| SCHEMBL9025148 | 0.70 | TSHR (0.38) | TSHRTAAR1LMNABCHEACHE |
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 |