Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
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 SCHEMBL7434207 | 0.99 | GAA (0.39) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2649657 | 0.94 | GAA (0.44) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL2662079 | 0.93 | GAA (0.43) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2649011 | 0.89 | GAA (0.40) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2650368 | 0.89 | GAA (0.40) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2649535 | 0.89 | GAA (0.43) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2650770 | 0.88 | GAA (0.47) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL2662150 | 0.87 | GAA (0.46) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7445502 | 0.87 | GAA (0.39) | GAANPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2648330 | 0.87 | PTGS2 (0.45) | GAANPSR1SMN1; SMN2MEN1KMT2A |
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 |