Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7375501 | 0.98 | SIGMAR1 (0.56) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL21882019 | 0.90 | SIGMAR1 (0.50) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL22485461 | 0.83 | LTA4H (0.49) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL28062266 | 0.80 | POLB (0.51) | SIGMAR1GAAACHEMAPTALDH1A1 | |
| SCHEMBL518257 | 0.80 | DPP7 (0.50) | SIGMAR1HTTSLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL2255128 | 0.78 | DPP7 (0.52) | SIGMAR1SLC6A3ACHEMAPTALDH1A1 | |
| SCHEMBL14938163 | 0.74 | SIGMAR1 (0.70) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL8647480 | 0.74 | DPP7 (0.47) | SIGMAR1SLC6A3ACHEMAPTALDH1A1 | |
| SCHEMBL6203931 | 0.72 | SIGMAR1 (0.72) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL6203929 | 0.72 | SIGMAR1 (0.53) | SIGMAR1NPC1RAB9ASMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0287696-B1 | ISOQUINOLINE DERIVATIVES | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-01-02 | — | — | EP | disclosed |
| EP-0287696-A1 | Isoquinoline derivatives | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-10-26 | — | — | EP | disclosed |
| EP-0044711-A1 | 9,11-Methano-13-aza-11a-carbathrombanoic acid analogues and pharmaceutical use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 1982-01-27 | — | — | EP | disclosed |