Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CTH | P32929 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL111678 | 0.71 | GRM5 (0.33) | — | |
| SCHEMBL1017992 | 0.71 | PTK2 (0.38) | ADRA2AADRA2BADRA2CPLAURAB9A | |
| SCHEMBL15561443 | 0.70 | RAB9A (0.42) | GBA1ALDH1A1KDM4EADRA2AADRA2B | |
| SCHEMBL303874 | 0.67 | — | — | |
| SCHEMBL3928499 | 0.67 | — | — | |
| SCHEMBL1019206 | 0.67 | NPC1 (0.45) | ALDH1A1RAB9ANPC1MAPK1ATM | |
| SCHEMBL7798852 | 0.67 | KMT2A (0.43) | ALDH1A1KDM4ERAB9ANPC1MAPK1 | |
| SCHEMBL16841 | 0.66 | — | — | |
| SCHEMBL29411198 | 0.66 | — | — | |
| SCHEMBL40864 | 0.66 | KDM4E (0.46) | GBA1ALDH1A1KDM4EADRA2AADRA2B |
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-5922742-A | NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS | MERCK FROSST CANADA (CA) | 1999-07-13 | — | — | US | disclosed |
| EP-0900201-A1 | PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040012-A1 | PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-30 | — | — | WO | disclosed |