Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6897774 | 0.85 | TSHR (0.35) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL1773527 | 0.84 | TSHR (0.65) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL1278884 | 0.80 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL8590992 | 0.80 | TSHR (0.51) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL8704816 | 0.79 | TSHR (0.57) | TSHRALDH1A1HSD17B10ACHEKDM4E | |
| SCHEMBL439436 | 0.76 | TSHR (0.65) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL1457077 | 0.74 | TSHR (0.61) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL8609108 | 0.73 | CTSK (0.46) | ALDH1A1HSD17B10MAPK1TDP1KMT2A | |
| SCHEMBL8609103 | 0.73 | CTSK (0.46) | ALDH1A1HSD17B10MAPK1TDP1KMT2A | |
| SCHEMBL9420521 | 0.72 | TSHR (0.49) | TSHRALDH1A1HSD17B10MAPK1TDP1 |
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 |