Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.58 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL927653 | 0.86 | HSD11B1 (0.55) | HSD11B1S1PR5S1PR1FUCA1ACHE | |
| SCHEMBL4318880 | 0.85 | HSD11B1 (0.65) | HSD11B1S1PR5S1PR1ALDH1A1FUCA1 | |
| SCHEMBL928056 | 0.80 | HSD11B1 (0.58) | HSD11B1S1PR5S1PR1ALDH1A1FUCA1 | |
| SCHEMBL2959552 | 0.78 | HSD11B1 (0.46) | HSD11B1S1PR5S1PR1ALDH1A1 | |
| SCHEMBL3237901 | 0.76 | HSD11B1 (0.44) | HSD11B1S1PR5S1PR1ACHEKMT2A | |
| SCHEMBL6335547 | 0.75 | HSD11B1 (0.51) | HSD11B1S1PR5S1PR1FUCA1ACHE | |
| SCHEMBL9055722 | 0.75 | S1PR5 (0.50) | S1PR5S1PR1ALDH1A1CYP2D6FUCA1 | |
| SCHEMBL20587395 | 0.75 | AGTR2 (0.48) | HSD11B1S1PR5S1PR1PSEN1PSEN2 | |
| SCHEMBL10480299 | 0.75 | HSD11B1 (0.49) | HSD11B1S1PR5S1PR1FUCA1ACHE | |
| SCHEMBL6749184 | 0.75 | S1PR5 (0.50) | HSD11B1S1PR5S1PR1ALDH1A1FUCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153608-A | Isoquinoline derivatives and drugs | NIPPON SHINYAKU CO., LTD. (JP) | 2000-11-28 | — | — | US | disclosed |
| EP-0885888-A1 | ISOQUINOLINE DERIVATIVES AND DRUGS | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |