Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 2/20 | 0.42 |
| ▸ | MC5R | P33032 | 2/20 | 0.42 |
| ▸ | MC3R | P41968 | 2/20 | 0.42 |
| ▸ | MC1R | Q01726 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21092036 | 0.87 | CYP2D6 (0.45) | NPSR1NR1D1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL8021840 | 0.80 | HDAC3 (0.55) | CA14CTSSL3MBTL1HDAC1LMNA | |
| SCHEMBL8525848 | 0.79 | HDAC3 (0.56) | CA14CTSSL3MBTL1HDAC1LMNA | |
| SCHEMBL13913291 | 0.77 | CA14 (0.43) | BACE1CA14L3MBTL1HDAC1LMNA | |
| SCHEMBL3293337 | 0.77 | CA14 (0.41) | BACE1CA14L3MBTL1HDAC1ACHE | |
| SCHEMBL27585984 | 0.77 | ADRA2A (0.51) | NPSR1NR1D1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL3292650 | 0.76 | CA14 (0.41) | BACE1CA14L3MBTL1HDAC1LMNA | |
| SCHEMBL3294768 | 0.74 | SSTR4 (0.40) | BACE1CA14L3MBTL1HDAC1LMNA | |
| SCHEMBL1579465 | 0.74 | ADRA2C (0.45) | CYP2D6MC3RBACE1HDAC1SLC6A2 | |
| SCHEMBL8625900 | 0.74 | L3MBTL1 (0.45) | CYP2C19CA14L3MBTL1HDAC1 |
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-5753714-A | ANTIPROTOZOA AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0277635-A2 | Novel polyamine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-08-10 | — | — | EP | disclosed |