Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 5/20 | 0.37 |
| ▸ | TUBB | P07437 | 5/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 5/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 5/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 5/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 5/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 5/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 5/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 5/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 5/20 | 0.37 |
| ▸ | TUBA1A | Q71U36 | 5/20 | 0.37 |
| ▸ | TUBA1C | Q9BQE3 | 5/20 | 0.37 |
| ▸ | TUBB6 | Q9BUF5 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6597155 | 0.86 | MAPK1 (0.42) | ALDH1A1LMNATACR1POLBTUBB4A | |
| SCHEMBL6596131 | 0.84 | TUBB4A (0.40) | KRASALDH1A1TUBB4ATUBBTUBA3C | |
| SCHEMBL6591924 | 0.81 | TUBB4A (0.43) | KRASALDH1A1POLBTUBB4ATUBB | |
| SCHEMBL6597573 | 0.80 | TP53 (0.47) | ALDH1A1LMNAPOLBTUBB4ATUBB | |
| SCHEMBL6593722 | 0.80 | LMNA (0.42) | ALDH1A1LMNATACR1TUBB4ATUBB | |
| SCHEMBL6595379 | 0.80 | CCR5 (0.40) | ALDH1A1LMNATACR1TUBB4ATUBB | |
| SCHEMBL27503685 | 0.79 | TACR1 (0.37) | ALDH1A1TACR1POLBTUBB4ATUBB | |
| SCHEMBL6596161 | 0.79 | TACR1 (0.44) | LMNATACR1 | |
| SCHEMBL6596708 | 0.79 | L3MBTL1 (0.40) | ALDH1A1LMNATACR1POLBTUBB1 | |
| SCHEMBL6597752 | 0.79 | HSD17B10 (0.46) | LMNAABCB1ABCC1TUBB4ATUBB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888338-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| EP-0888336-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030989-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |
| WO-1997030991-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |