Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6894888 | 0.87 | CYP1A2 (0.54) | CYP1A2GAAALOX15MGAMSI | |
| SCHEMBL11076396 | 0.85 | CYP1A2 (0.68) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL50734 | 0.84 | CYP1A2 (0.73) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL1331978 | 0.84 | CYP1A2 (0.73) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL31150447 | 0.82 | CYP1A2 (0.70) | CYP1A2SMYD3GAAALOX15MGAM | |
| Succinic Acid Diethyl Ester SCHEMBL21518140 | 0.82 | CYP1A2 (0.70) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL8503861 | 0.81 | CYP1A2 (0.57) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL9509224 | 0.81 | CYP1A2 (0.57) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL11871882 | 0.81 | CYP1A2 (0.57) | CYP1A2SMYD3GAAALOX15MGAM | |
| SCHEMBL11305128 | 0.80 | CYP1A2 (0.68) | CYP1A2SMYD3GAAALOX15MGAM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |