Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.42 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.42 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.42 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9268345 | 0.92 | PTGS2 (0.55) | PTGS2MAPTCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL13761581 | 0.85 | PTGS2 (0.48) | PTGS2MAPTCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL9266616 | 0.84 | PTGS2 (0.49) | PTGS2 | |
| SCHEMBL9271064 | 0.81 | PTGS2 (0.58) | PTGS2MAPTMAOB | |
| SCHEMBL9271388 | 0.80 | PTGS2 (0.45) | PTGS2MAPTAR | |
| SCHEMBL9264074 | 0.80 | LMNA (0.49) | PTGS2MAPT | |
| SCHEMBL9267689 | 0.80 | PTGS2 (0.57) | PTGS2MAPTMAOB | |
| SCHEMBL4468876 | 0.79 | PTGS2 (0.43) | PTGS2MAOB | |
| SCHEMBL3394581 | 0.78 | PTGS2 (0.58) | PTGS2 | |
| SCHEMBL9263874 | 0.78 | 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 |