Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NMBR | P28336 | 5/20 | 0.74 |
| ▸ | TACR1 | P25103 | 1/20 | 0.74 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | ACE | P12821 | 4/20 | 0.67 |
| ▸ | ECE1 | P42892 | 6/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.61 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.61 |
| ▸ | ITGAL | P20701 | 1/20 | 0.61 |
| ▸ | MME | P08473 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5189162 | 1.00 | NMBR (0.74) | NMBRTACR1MAPTSMN1; SMN2ACE | |
| SCHEMBL19359093 | 1.00 | NMBR (0.74) | NMBRTACR1MAPTSMN1; SMN2ACE | |
| SCHEMBL18558611 | 0.89 | MAPT (0.72) | NMBRTACR1MAPTSMN1; SMN2 | |
| SCHEMBL11370921 | 0.88 | ALOX15 (0.67) | TACR1MAPTSMN1; SMN2ACEECE1 | |
| SCHEMBL11370918 | 0.88 | ALOX15 (0.67) | TACR1MAPTSMN1; SMN2ACEECE1 | |
| SCHEMBL6899047 | 0.88 | NMBR (0.73) | NMBRTACR1MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27463103 | 0.87 | ALOX15 (0.66) | TACR1MAPTSMN1; SMN2ACEECE1 | |
| SCHEMBL753982 | 0.87 | ALOX15 (0.72) | TACR1ACEECE1ALOX15ITGB2 | |
| SCHEMBL11369419 | 0.87 | ALOX15 (0.72) | TACR1ACEECE1ALOX15ITGB2 | |
| SCHEMBL27403392 | 0.87 | ALOX15 (0.72) | TACR1ACEECE1ALOX15ITGB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2523558-A1 | OXADIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088025-A1 | OXADIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2011-07-21 | — | — | WO | disclosed |