Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2527059 | 1.00 | TAAR1 (0.52) | TAAR1CASP3CASP7ALDH1A1CNR1 | |
| SCHEMBL7566070 | 0.89 | TAAR1 (0.48) | TAAR1CASP3CASP7ALDH1A1CNR1 | |
| SCHEMBL4322411 | 0.85 | CES2 (0.42) | TAAR1CASP3CASP7ALDH1A1ALOX15 | |
| SCHEMBL7331602 | 0.83 | TAAR1 (0.56) | TAAR1CASP3CASP7ALDH1A1CNR1 | |
| SCHEMBL6964948 | 0.82 | TAAR1 (0.54) | TAAR1CASP3CASP7ALDH1A1CNR1 | |
| SCHEMBL29444401 | 0.82 | MEN1 (0.59) | TAAR1CASP3CASP7ALDH1A1MEN1 | |
| SCHEMBL246473 | 0.82 | MEN1 (0.59) | TAAR1CASP3CASP7ALDH1A1MEN1 | |
| SCHEMBL9220937 | 0.80 | IAPP (0.55) | TAAR1CASP3CASP7ALDH1A1MEN1 | |
| SCHEMBL2859015 | 0.80 | TAAR1 (0.57) | TAAR1CASP3CASP7ALDH1A1MEN1 | |
| SCHEMBL11549937 | 0.80 | TAAR1 (0.52) | TAAR1CASP3CASP7ALDH1A1CNR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024050825-A1 | COMPOUNDS AS MLKL INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2024-03-14 | — | — | WO | disclosed |