Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL5705869 | 0.81 | TAAR1 (0.61) | TAAR1AOC3SMN1; SMN2CD274MAPT | |
| SCHEMBL8097092 | 0.81 | ALDH1A1 (0.42) | TAAR1AOC3P2RX7ACHEALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL6195329 | 0.79 | ALDH1A1 (0.41) | TAAR1AOC3P2RX7ACHEALDH1A1 | |
| SCHEMBL27869414 | 0.79 | TAAR1 (0.39) | TAAR1AOC3P2RX7ACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL14157235 | 0.79 | TAAR1 (0.59) | TAAR1AOC3SMN1; SMN2IDO1CD274 | |
| SCHEMBL5584389 | 0.78 | TAAR1 (0.41) | TAAR1AOC3GAAIDO1LMNA | |
| SCHEMBL1610124 | 0.78 | ESR1 (0.42) | TAAR1P2RX7ACHEALDH1A1GAA | |
| SCHEMBL840509 | 0.78 | TAAR1 (0.62) | TAAR1AOC3ALDH1A1IDO1LMNA | |
| SCHEMBL8090805 | 0.78 | TYR (0.40) | TAAR1ALDH1A1GAA | |
| SCHEMBL6195324 | 0.78 | MPO (0.49) | TAAR1AOC3IDO1CD274 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |