Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5372 | 0.90 | MIF (0.67) | MIFCYP3A4TSHRMPIAPLNR | |
| SCHEMBL302097 | 0.86 | CYP3A4 (0.65) | MIFCYP3A4TSHRCYP1A2TRPA1 | |
| SCHEMBL161063 | 0.84 | CYP3A4 (0.50) | CYP3A4TSHRMAPTTRPA1ALDH1A1 | |
| Phenylacetic Acid SCHEMBL7876128 | 0.83 | KDM4E (0.43) | MIFMAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9716383 | 0.81 | CYP3A4 (0.59) | MIFCYP3A4TSHRCYP1A2TRPA1 | |
| Methylene Chloride SCHEMBL28742344 | 0.81 | CYP3A4 (0.48) | MIFCYP3A4TSHRMAPTTRPA1 | |
| SCHEMBL27899734 | 0.81 | CYP3A4 (0.59) | MIFCYP3A4TSHRCYP1A2TRPA1 | |
| SCHEMBL29087457 | 0.81 | CYP3A4 (0.59) | MIFCYP3A4TSHRCYP1A2TRPA1 | |
| SCHEMBL13246064 | 0.79 | ESR2 (0.47) | CYP3A4TSHRMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28101787 | 0.79 | LTA4H (0.48) | CYP3A4TSHRCYP1A2MAPTTRPA1 |
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 |