Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565524 | 1.00 | MMP1 (0.42) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL9565493 | 0.87 | MMP1 (0.39) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL9565490 | 0.87 | MMP1 (0.39) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL9025579 | 0.80 | TSHR (0.41) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL9025573 | 0.80 | TSHR (0.41) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL17391191 | 0.73 | FFAR4 (0.57) | AGTR2LMNAALDH1A1FFAR4TSHR | |
| SCHEMBL5924916 | 0.73 | FFAR4 (0.57) | AGTR2LMNAALDH1A1FFAR4TSHR | |
| SCHEMBL29018749 | 0.73 | FFAR4 (0.57) | AGTR2LMNAALDH1A1FFAR4TSHR | |
| SCHEMBL5447182 | 0.73 | FFAR4 (0.57) | AGTR2LMNAALDH1A1FFAR4TSHR | |
| SCHEMBL29188003 | 0.73 | FFAR4 (0.57) | AGTR2LMNAALDH1A1FFAR4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0554025-A2 | Fluorinated cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1993-08-04 | — | — | EP | disclosed |