Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15637986 | 0.76 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30114552 | 0.76 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8224403 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| SCHEMBL669066 | 0.71 | — | — | |
| SCHEMBL1219524 | 0.71 | ACHE (0.39) | ACHECA1CA2CA9CA12 | |
| SCHEMBL19181561 | 0.71 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3678596 | 0.69 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2191561 | 0.69 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL11054522 | 0.68 | CA1 (0.56) | ACHECA1CA2CA7CA9 | |
| SCHEMBL2551189 | 0.67 | CA1 (0.55) | CA1CA2CA7CA9CA12 |
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-0096486-B1 | TRIALKYLSILICON-CONTAINING PHENYLCYCLOALKANE ANALGESICS | PFIZER INC. (US) | 1985-11-21 | — | — | EP | disclosed |
| EP-0096486-A1 | Trialkylsilicon-containing phenylcycloalkane analgesics | PFIZER INC. (US) | 1983-12-21 | — | — | EP | disclosed |
| US-4379783-A | Trialkylsilicon-containing phenylcycloalkane analgesics | PFIZER INC. (US) | 1983-04-12 | — | — | US | disclosed |