Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | GFER | P55789 | 2/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL57323 | 0.80 | HRH3 (0.64) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL11831735 | 0.78 | AOC3 (0.62) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| Hydrochloric Acid SCHEMBL56245 | 0.78 | HRH3 (0.61) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| Hydrochloric Acid SCHEMBL1322204 | 0.78 | HRH3 (0.61) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL3148019 | 0.74 | MAPT (0.52) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL4728405 | 0.74 | HRH3 (0.77) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL16700402 | 0.74 | MAPT (0.61) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL5204980 | 0.73 | MAPT (0.46) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL5210424 | 0.73 | MAPT (0.46) | MAPTALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL3148027 | 0.73 | ACHE (0.56) | MAPTALDH1A1CYP3A4TDP1TSHR |
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 | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |