Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL9268153 | 0.89 | PTGS2 (0.45) | ACHEPTGS2SLC2A1 | |
| SCHEMBL9265538 | 0.88 | PTGS2 (0.52) | ACHEPTGS2SLC2A1 | |
| SCHEMBL9263828 | 0.87 | ACHE (0.47) | ACHEPTGS2SLC2A1CYP1A2GSTP1 | |
| SCHEMBL9282952 | 0.84 | PTGS2 (0.53) | ACHEPTGS2MGLLSLC2A1 | |
| SCHEMBL9271388 | 0.81 | PTGS2 (0.45) | ACHEPTGS2MAPTMMP14CHEK2 | |
| SCHEMBL9262874 | 0.81 | PTGS2 (0.47) | ACHEPTGS2GSTP1 | |
| SCHEMBL9270234 | 0.81 | PTGS2 (0.52) | PTGS2CYP1A2 | |
| SCHEMBL9269944 | 0.81 | EGFR (0.49) | ACHEPTGS2MAPTCYP1A2CYP3A4 | |
| SCHEMBL9264843 | 0.80 | PTGS2 (0.52) | ACHEPTGS2 | |
| SCHEMBL9263874 | 0.79 | PTGS2 (0.58) | PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5403934-A | Heterocyclic compounds | BURROUGHS WELLCOME CO. (US) | 1995-04-04 | — | — | US | disclosed |
| WO-1991013873-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-19 | — | — | WO | disclosed |
| EP-0447164-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-18 | — | — | EP | disclosed |