Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | QPCTL | Q9NXS2 | 2/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzimidazole SCHEMBL7413336 | 0.82 | NPC1 (0.42) | ALDH1A1RAB9AKDM4ENPC1HPGD | |
| SCHEMBL659974 | 0.81 | MAPT (0.40) | ALDH1A1ATP4AATP4BPARP1MAPT | |
| Benzimidazole SCHEMBL28467044 | 0.73 | SMN1; SMN2 (0.45) | ALDH1A1RAB9AKDM4ENPC1HPGD | |
| Benzimidazole SCHEMBL376958 | 0.73 | MMP12 (0.46) | ALDH1A1RAB9AKDM4ENPC1HPGD | |
| SCHEMBL7348969 | 0.71 | PARP1 (0.37) | ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2 | |
| Benzimidazole SCHEMBL29218507 | 0.71 | MMP12 (0.47) | ALDH1A1RAB9AKDM4ENPC1HPGD | |
| Benzimidazole SCHEMBL461969 | 0.71 | SMN1; SMN2 (0.50) | ALDH1A1RAB9AKDM4ENPC1HPGD | |
| Benzimidazole SCHEMBL6009 | 0.71 | — | — | |
| Benzimidazole SCHEMBL10931770 | 0.71 | SMN1; SMN2 (0.50) | ALDH1A1RAB9AKDM4ENPC1HPGD | |
| Benzimidazole SCHEMBL29408372 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5436240-A | Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0480939-B1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5273975-A | Heterocyclic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0480939-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1992-04-22 | — | — | EP | disclosed |
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |