Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9629915 | 0.84 | PKM (0.71) | PKMTAAR1IDO1ALDH1A1MEN1 | |
| SCHEMBL6894654 | 0.83 | PKM (0.44) | PKMTAAR1IDO1ALDH1A1MAPK8 | |
| SCHEMBL1520469 | 0.78 | TAAR1 (0.50) | TAAR1IDO1ALDH1A1MAPK8AOC3 | |
| SCHEMBL1031721 | 0.78 | ALDH1A1 (0.55) | TAAR1IDO1ALDH1A1MAPK8MAPK1 | |
| SCHEMBL29639794 | 0.78 | ALDH1A1 (0.55) | TAAR1IDO1ALDH1A1MAPK8MAPK1 | |
| SCHEMBL27561888 | 0.78 | TAAR1 (0.50) | TAAR1IDO1ALDH1A1MAPK8AOC3 | |
| Hydrochloric Acid SCHEMBL4080936 | 0.77 | ALDH1A1 (0.53) | TAAR1IDO1ALDH1A1MAPK8MAPK1 | |
| Hydrochloric Acid SCHEMBL213754 | 0.77 | IDO1 (0.48) | TAAR1IDO1ALDH1A1MAPK8AOC3 | |
| SCHEMBL11830961 | 0.76 | ALDH1A1 (0.53) | ALDH1A1MAPK8MAPK1MAOBPARP15 | |
| SCHEMBL171354 | 0.76 | MAPK8 (0.52) | ALDH1A1MAPK8MAPK1MEN1KMT2A |
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 |