Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648974 | 0.79 | CYP1A2 (0.40) | RAB9ATSHRSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL2649246 | 0.76 | ALDH1A1 (0.39) | RAB9ATSHRALDH1A1KDM4ELMNA | |
| SCHEMBL2649211 | 0.76 | RAB9A (0.43) | RAB9AMAPK1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL2648346 | 0.74 | ALDH1A1 (0.37) | MAPK1TSHRSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL20540906 | 0.70 | CHRM2 (0.49) | RAB9ATSHRSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL20511480 | 0.70 | CHRM2 (0.49) | RAB9ATSHRSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL4768344 | 0.69 | KDM4E (0.42) | RAB9ATSHRSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL28380253 | 0.68 | TSHR (0.42) | RAB9AMAPK1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL2653688 | 0.68 | TSHR (0.53) | RAB9ATSHRSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL4773453 | 0.66 | KDM4E (0.36) | RAB9ATSHRALDH1A1KDM4EGAA |
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 |