Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | PDE6A | P16499 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11725582 | 0.98 | TSHR (0.53) | TSHRNR1H2NR1H3CYP2C19CYP2D6 | |
| SCHEMBL10649397 | 0.94 | TSHR (0.53) | TSHRNR1H2NR1H3CYP2C19CYP2D6 | |
| SCHEMBL10653978 | 0.93 | TSHR (0.52) | TSHRNR1H2NR1H3CYP2C19CYP2D6 | |
| SCHEMBL10650134 | 0.93 | TSHR (0.52) | TSHRNR1H2NR1H3CYP2C19CYP2D6 | |
| SCHEMBL3061911 | 0.88 | TSHR (0.59) | TSHRNR1H2NR1H3CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL11724555 | 0.87 | CYP2C19 (0.57) | TSHRNR1H2NR1H3CYP2C19CYP2D6 | |
| SCHEMBL1408147 | 0.86 | MEN1 (0.42) | TSHRHDAC1HDAC6OPRM1KMT2A | |
| SCHEMBL11728096 | 0.84 | CNR1 (0.47) | TSHRCYP2C19CYP2D6LMNACYP1A2 | |
| SCHEMBL11782144 | 0.84 | RAB9A (0.50) | TSHRNR1H2NR1H3CYP2C19HTR7 | |
| Hydrochloric Acid SCHEMBL11726661 | 0.83 | TDP1 (0.48) | HTR1AADRA2AADRA1AOPRM1DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0289262-A2 | Omega-quaternary ammonium alkyl esters and thioesters of acidic nonsteroidal antiinflammatory drugs | SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) | 1988-11-02 | — | — | EP | disclosed |
| US-4045450-A | Optical resolution of DL-pantolactone | ALPS PHARMACEUTICAL IND. CO., LTD. (JA) | 1977-08-30 | — | — | US | disclosed |