Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| SCHEMBL11844218 | 0.84 | ALDH1A1 (0.51) | PKMMEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL3714040 | 0.82 | PKM (1.00) | PKMMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL14098647 | 0.75 | PKM (0.59) | PKMMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL3395963 | 0.73 | PKM (0.74) | PKMALDH1A1LMNAIDO1PNMT | |
| SCHEMBL28015970 | 0.71 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1GAAMAPT | |
| Chlorthiamid SCHEMBL54987 | 0.71 | ALDH1A1 (0.50) | PKMALDH1A1L3MBTL1LMNAHPGD | |
| Chlorthiamid SCHEMBL8541243 | 0.71 | ALDH1A1 (0.50) | PKMALDH1A1L3MBTL1LMNAHPGD | |
| SCHEMBL6892574 | 0.71 | GABRA1 (0.43) | ALDH1A1L3MBTL1ALOX12PTGS2GAA | |
| SCHEMBL9629915 | 0.69 | PKM (0.71) | PKMMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL11851293 | 0.68 | GAA (0.44) | MEN1KMT2AALDH1A1L3MBTL1LMNA |
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 |