Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.42 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.42 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CCKAR | P32238 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | GLP1R | P43220 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
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 SCHEMBL2650475 | 0.99 | SMN1; SMN2 (0.42) | SMN1; SMN2TSHRHTTSLC16A3SLC16A1 | |
| SCHEMBL2648330 | 0.88 | PTGS2 (0.45) | SMN1; SMN2TSHRHTTLMNAGAA | |
| Hydrochloric Acid SCHEMBL2662511 | 0.87 | PTGS2 (0.44) | SMN1; SMN2TSHRHTTLMNAGAA | |
| SCHEMBL2648853 | 0.86 | GAA (0.39) | SMN1; SMN2HTTALDH1A1LMNARAB9A | |
| SCHEMBL2649751 | 0.86 | KIT (0.40) | SMN1; SMN2HTTALDH1A1LMNADHODH | |
| SCHEMBL2649769 | 0.85 | DHODH (0.44) | HTTDHODHRAB9ANPC1MAPT | |
| SCHEMBL2650770 | 0.85 | GAA (0.47) | SMN1; SMN2HTTALDH1A1LMNARAB9A | |
| Hydrochloric Acid SCHEMBL2662150 | 0.84 | GAA (0.46) | SMN1; SMN2HTTALDH1A1LMNARAB9A | |
| SCHEMBL2649448 | 0.84 | DHODH (0.40) | SMN1; SMN2HTTLMNADHODHRAB9A | |
| SCHEMBL7434683 | 0.84 | GAA (0.37) | SMN1; SMN2HTTALDH1A1LMNARAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | claimed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | claimed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | claimed |
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |