Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CBS | P35520 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11735965 | 1.00 | CBS (0.46) | CBSPTGS2CYP3A4ACHEPTPN2 | |
| SCHEMBL15944381 | 0.91 | CBS (0.51) | CBSPTGS2CYP3A4 | |
| SCHEMBL31545384 | 0.85 | CBS (0.58) | CBSPTGS2CYP3A4 | |
| SCHEMBL30680781 | 0.85 | CBS (0.58) | CBSPTGS2CYP3A4 | |
| SCHEMBL11737673 | 0.85 | CBS (0.58) | CBSPTGS2CYP3A4 | |
| SCHEMBL11737664 | 0.85 | CBS (0.58) | CBSPTGS2CYP3A4 | |
| SCHEMBL31545073 | 0.85 | CBS (0.58) | CBSPTGS2CYP3A4 | |
| SCHEMBL3920915 | 0.79 | ESR1 (0.44) | PTGS2CYP3A4ACHE | |
| SCHEMBL3920909 | 0.79 | ESR1 (0.44) | PTGS2CYP3A4ACHE | |
| SCHEMBL28927453 | 0.77 | CBS (0.79) | CBSPTGS2CYP3A4ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4054582-A | Process for converting cis-hexahydrodibenzo[b,d]pyran-9-ones to trans-hexahydrodibenzo[b,d]-pyran-9-ones | ELI LILLY AND COMPANY (US) | 1977-10-18 | — | — | US | disclosed |
| US-4028360-A | BACTERICIDES | PFIZER INC. (US) | 1977-06-07 | — | — | US | disclosed |