Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL10013098 | 0.89 | TSHR (0.67) | TSHRCES2CES1LTA4HCPA1 | |
| Benzyl Alcohol SCHEMBL2963501 | 0.85 | TSHR (0.67) | TSHRCES2CES1LTA4HCPA1 | |
| SCHEMBL5403 | 0.82 | ALDH1A1 (0.52) | TSHRCES2CES1ALDH1A1LMNA | |
| SCHEMBL14976941 | 0.79 | ALDH1A1 (0.50) | TSHRCES2CES1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL28305249 | 0.79 | ALDH1A1 (0.67) | TSHRCES2CES1NPC1RAB9A | |
| Benzyl Alcohol SCHEMBL9453895 | 0.78 | TSHR (0.56) | TSHRCES2CES1LTA4HCPA1 | |
| Benzyl Alcohol SCHEMBL11353823 | 0.76 | TSHR (1.00) | TSHRCES2CES1LTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL147 | 0.76 | — | — | |
| Benzyl Alcohol SCHEMBL433990 | 0.76 | TSHR (1.00) | TSHRCES2CES1LTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL9066990 | 0.76 | TSHR (1.00) | TSHRCES2CES1LTA4HALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190224332-A1 | STERILE INJECTABLE COMPOSITIONS COMPRISING DRUG MICELLES | CADILA HEALTHCARE LIMITED (IN) | 2019-07-25 | — | — | US | disclosed |