Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL777260 | 0.93 | TP53 (0.46) | TP53SLC6A2TAAR1CALM1TSHR | |
| Ethane SCHEMBL7199050 | 0.88 | TP53 (0.43) | TP53SLC6A2TAAR1CALM1TSHR | |
| Benzene SCHEMBL11030926 | 0.88 | CALM1 (0.45) | TP53SLC6A2TAAR1CALM1TSHR | |
| SCHEMBL340372 | 0.88 | CALM1 (0.45) | TP53SLC6A2TAAR1CALM1TSHR | |
| SCHEMBL5320699 | 0.80 | TP53 (0.42) | TP53SLC6A2TAAR1CALM1TSHR | |
| SCHEMBL20198224 | 0.80 | LMNA (0.47) | TSHRACHETDP1CYP3A4CNR2 | |
| Dimethyl Sulfone SCHEMBL10952244 | 0.80 | CA2 (0.40) | TP53CES2CES1ACHECYP3A4 | |
| SCHEMBL6503361 | 0.78 | CALM1 (0.41) | TP53SLC6A2TAAR1CALM1TSHR | |
| SCHEMBL17104769 | 0.77 | TP53 (0.39) | TP53CES2CES1SIGMAR1 | |
| SCHEMBL19063505 | 0.76 | TP53 (0.42) | TP53SLC6A2TAAR1ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0053023-B1 | HYDROXYLATION OF OLEFINS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1985-04-17 | — | — | EP | disclosed |