Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.58 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.58 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6162557 | 0.90 | SMN1; SMN2 (0.62) | GABRA1GABRB2GABRB1GABRA3SMN1; SMN2 | |
| SCHEMBL3539530 | 0.81 | PTPN1 (0.49) | SMN1; SMN2TSHRKDM4EALDH1A1 | |
| SCHEMBL3642333 | 0.79 | TSHR (0.65) | GABRA1GABRB2GABRB1GABRA3SMN1; SMN2 | |
| SCHEMBL2656894 | 0.78 | GABRA1 (0.62) | GABRA1GABRB2GABRB1GABRA3SMN1; SMN2 | |
| SCHEMBL7439372 | 0.78 | KMT2A (0.61) | GABRA1GABRB2GABRB1GABRA3TSHR | |
| SCHEMBL7448772 | 0.78 | KMT2A (0.49) | GABRA1GABRB2GABRB1GABRA3TSHR | |
| Bicarbonate SCHEMBL27544354 | 0.78 | TSHR (0.62) | GABRA1GABRB2GABRB1GABRA3SMN1; SMN2 | |
| SCHEMBL320357 | 0.77 | TSHR (0.53) | GABRA1GABRB2GABRB1GABRA3SMN1; SMN2 | |
| SCHEMBL9590339 | 0.75 | KMT2A (0.46) | GABRA1GABRB2GABRB1GABRA3TSHR | |
| SCHEMBL17338609 | 0.75 | GABRA1 (0.70) | GABRA1GABRB2GABRB1GABRA3SMN1; SMN2 |
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 3 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 | 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 |