Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648157 | 0.90 | ALDH1A1 (0.62) | ALDH1A1MAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL1558996 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL2650036 | 0.88 | HTT (0.58) | ALDH1A1MAPTKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL2648886 | 0.87 | GAA (0.59) | ALDH1A1MAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL2649625 | 0.87 | ALDH1A1 (0.53) | ALDH1A1MAPTKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL2648608 | 0.85 | SYK (0.47) | ALDH1A1MAPTKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL2650679 | 0.85 | KDM4E (0.48) | ALDH1A1MAPTKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL2649097 | 0.84 | ALDH1A1 (0.60) | ALDH1A1MAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL2650512 | 0.84 | KDM4E (0.47) | ALDH1A1MAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL2650272 | 0.84 | MAPT (0.57) | ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A |
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 |