Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | STAT1 | P42224 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 6/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5218132 | 0.89 | NPC1 (0.59) | RAB9ANPC1TP53STAT1SMN1; SMN2 | |
| SCHEMBL14381236 | 0.80 | BCHE (0.63) | RAB9ANPC1SMN1; SMN2GRM2KMT2A | |
| SCHEMBL5216495 | 0.80 | GRM4 (0.54) | RAB9ANPC1SMN1; SMN2GRM2MAPT | |
| SCHEMBL5219466 | 0.78 | NPC1 (0.48) | RAB9ANPC1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL5218811 | 0.77 | RAB9A (0.68) | RAB9ANPC1TP53STAT1SMN1; SMN2 | |
| SCHEMBL5217910 | 0.75 | GRM4 (0.43) | RAB9ANPC1SMN1; SMN2GRM2MAPT | |
| SCHEMBL5216414 | 0.75 | ALDH1A1 (0.47) | RAB9ANPC1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL5219136 | 0.75 | NPC1 (0.50) | RAB9ANPC1SMN1; SMN2POLBKMT2A | |
| SCHEMBL5215574 | 0.75 | GRM4 (0.56) | RAB9ANPC1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL5216714 | 0.75 | MAPT (0.50) | RAB9ANPC1SMN1; SMN2KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |