Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7181901 | 0.84 | HDAC6 (0.58) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7082045 | 0.82 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7544328 | 0.82 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7172907 | 0.82 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7679736 | 0.81 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7681441 | 0.81 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7691372 | 0.81 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL3546237 | 0.81 | KCNN3 (0.57) | SMN1; SMN2NPC1RAB9ATDP1HDAC6 | |
| SCHEMBL28406604 | 0.80 | HDAC6 (0.57) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL7085654 | 0.79 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9APOLBTDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244639-A4 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| EP-1244639-A1 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | claimed |
| US-6291499-B1 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2001-09-18 | — | — | US | claimed |
| WO-2001032634-A1 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | claimed |
| EP-1244639-A4 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-1244639-A1 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| 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 |
| WO-2001032634-A1 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |