Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2649246 | 0.80 | ALDH1A1 (0.39) | L3MBTL1TSHRMEN1KMT2ARAB9A | |
| SCHEMBL2650255 | 0.79 | RAB9A (0.43) | CYP1A2CYP2C19TSHRMEN1KMT2A | |
| SCHEMBL2648346 | 0.72 | ALDH1A1 (0.37) | CYP1A2CYP2C19CYP2C9L3MBTL1TSHR | |
| SCHEMBL2649211 | 0.68 | RAB9A (0.43) | TSHRMEN1KMT2ASMN1; SMN2NPSR1 | |
| SCHEMBL4768344 | 0.68 | KDM4E (0.42) | CYP1A2CYP2C19CYP2C9L3MBTL1TSHR | |
| SCHEMBL7405639 | 0.67 | GAA (0.49) | TSHRMEN1KMT2ASMN1; SMN2PKM | |
| SCHEMBL22640216 | 0.65 | MEN1 (0.46) | L3MBTL1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL22640236 | 0.65 | MEN1 (0.46) | L3MBTL1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11964018 | 0.65 | TSHR (0.43) | CYP1A2CYP2C19CYP3A4CYP2C9L3MBTL1 | |
| SCHEMBL4773453 | 0.64 | KDM4E (0.36) | CYP1A2CYP2C19TSHRMEN1KMT2A |
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-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 |