Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2708161 | 0.94 | CYP1A2 (0.56) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28921963 | 0.92 | CYP1A2 (0.54) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL645781 | 0.84 | TDP1 (0.56) | TDP1TSHRCYP1A2CYP2C19FFAR1 | |
| SCHEMBL27765388 | 0.84 | MAPT (0.57) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| Butane SCHEMBL6049530 | 0.84 | TDP1 (0.56) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| Butyric Acid SCHEMBL27401046 | 0.82 | RAB9A (0.69) | TDP1TSHRCYP1A2CYP2C19L3MBTL1 | |
| SCHEMBL11221532 | 0.81 | ALDH1A1 (0.48) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9799896 | 0.81 | L3MBTL1 (0.55) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1678635 | 0.81 | L3MBTL1 (0.55) | TDP1TSHRCYP1A2CYP2C9CYP2C19 | |
| Butyric Acid SCHEMBL28317752 | 0.81 | PPARA (0.59) | TDP1TSHRCYP1A2CYP2C9CYP2C19 |
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-110114456-A | Novel acyltransferase, variant thioesterase and its purposes | 柯碧恩生物技术公司 | 2019-08-09 | — | — | CN | disclosed |