Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928062 | 0.86 | PTGS2 (0.56) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL9911551 | 0.82 | PTGS2 (0.52) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL10120043 | 0.82 | PTGS2 (0.52) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL10139331 | 0.82 | PTGS2 (0.52) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL23581099 | 0.81 | PTGS2 (0.75) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL66842 | 0.81 | PTGS2 (0.75) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL10411845 | 0.81 | PTGS2 (0.75) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| Iodide SCHEMBL3868944 | 0.81 | PTGS2 (0.75) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL3418 | 0.81 | PTGS2 (0.75) | PTGS2CYP2D6SRCLMNAMAPK1 | |
| Benzene SCHEMBL28145708 | 0.81 | PTGS2 (0.75) | PTGS2CYP2D6SRCLMNAMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4127715-A | CNS ANTIANXIETY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4087433-A | ANTI-ANXIETY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-05-02 | — | — | US | disclosed |
| US-4033970-A | ANTI-ANXIETY AGENTS, CENTRAL NERVOUS SYSTEM ACTIVITY | E. R. SQUIBB & SONS, INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4018779-A | Derivatives of 10,11-dihydrobenzo[4,5]cyclohepta[1,2-b]-pyrazolo[4,3-e]pyridine-5(1H)ones | E. R. SQUIBB & SONS, INC. (US) | 1977-04-19 | — | — | US | disclosed |