Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7676699 | 0.91 | ITGB3 (0.46) | KCNH2ALDH1A1MAPK1HSD17B10CYP3A4 | |
| SCHEMBL7669079 | 0.71 | SMN1; SMN2 (0.57) | KCNH2ALDH1A1MAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL28406604 | 0.69 | HDAC6 (0.57) | KCNH2SMN1; SMN2RAB9ANPC1POLB | |
| SCHEMBL7544328 | 0.69 | SMN1; SMN2 (0.63) | ALDH1A1MAPK1HSD17B10CYP3A4ITGB3 | |
| SCHEMBL7172907 | 0.69 | SMN1; SMN2 (0.63) | ALDH1A1MAPK1HSD17B10CYP3A4ITGB3 | |
| SCHEMBL7082045 | 0.69 | SMN1; SMN2 (0.63) | ALDH1A1MAPK1HSD17B10CYP3A4ITGB3 | |
| SCHEMBL11266594 | 0.69 | KCNH2 (0.80) | KCNH2SMN1; SMN2GAAMAPTL3MBTL1 | |
| SCHEMBL7085654 | 0.69 | SMN1; SMN2 (0.59) | ALDH1A1MAPK1HSD17B10ITGB3ITGAV | |
| SCHEMBL7085647 | 0.69 | SMN1; SMN2 (0.59) | ALDH1A1MAPK1HSD17B10ITGB3ITGAV | |
| SCHEMBL7089468 | 0.69 | SMN1; SMN2 (0.59) | ALDH1A1MAPK1HSD17B10ITGB3ITGAV |
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-6291499-B1 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2001-09-18 | — | — | US | claimed |
| US-6380205-B1 | QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| US-6291499-B1 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2001-09-18 | — | — | US | disclosed |