Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11285758 | 0.91 | CES2 (0.38) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL340372 | 0.89 | CALM1 (0.45) | CALM1CES2CES1TSHRALDH1A1 | |
| Benzene SCHEMBL11030926 | 0.89 | CALM1 (0.45) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL11583723 | 0.86 | HTR2A (0.44) | CALM1CES2CES1LOXL2IDO1 | |
| SCHEMBL5320699 | 0.86 | TP53 (0.42) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL10729584 | 0.86 | TDP1 (0.44) | CALM1CES2CES1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL11579309 | 0.84 | HTR2A (0.43) | CALM1LOXL2IDO1MAOBHPGD | |
| Ethane SCHEMBL7199050 | 0.84 | TP53 (0.43) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL11288432 | 0.83 | TDP1 (0.41) | CALM1CES2CES1TSHRHPGD | |
| SCHEMBL10333077 | 0.83 | CALM1 (0.32) | CALM1CES2CES1TSHRALDH1A1 |
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-2005062811-A2 | CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-07-14 | — | — | WO | disclosed |