Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | IGF1R | P08069 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL834551 | 0.79 | TAAR1 (0.73) | TAAR1CALM1CA1CA2F2RL1 | |
| SCHEMBL1453650 | 0.78 | IDO1 (0.52) | TAAR1CALM1CA1CA2F2RL1 | |
| SCHEMBL31218984 | 0.77 | KMT2A (0.48) | — | |
| SCHEMBL77472 | 0.76 | TAAR1 (0.61) | TAAR1CALM1CA1CA2F2RL1 | |
| SCHEMBL910722 | 0.76 | CA2 (0.60) | TAAR1CA1CA2IGF1RALOX15 | |
| SCHEMBL16760161 | 0.76 | TAAR1 (0.61) | TAAR1CALM1CA1CA2F2RL1 | |
| SCHEMBL4254058 | 0.75 | CALM1 (0.72) | TAAR1CALM1CA1CA2F2RL1 | |
| SCHEMBL244070 | 0.75 | CALM1 (0.79) | TAAR1CALM1CA1CA2F2RL1 | |
| SCHEMBL31497794 | 0.74 | TAAR1 (0.59) | TAAR1CALM1CA2F2RL1MAOB | |
| SCHEMBL7032199 | 0.74 | IDO1 (0.52) | TAAR1CALM1CA1CA2F2RL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109575063-B | Boron esterification reaction method of alkyl halide without transition metal catalysis | 北京大学 | 2020-06-26 | — | — | CN | disclosed |