Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3815685 | 0.84 | NPC1 (0.55) | RAB9ANPC1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL3808065 | 0.83 | CYP1A2 (0.57) | CYP1A2RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL9873872 | 0.83 | LMNA (0.48) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| SCHEMBL7676183 | 0.82 | PRSS1 (0.63) | PRSS1CTSGCTRB1CMA1EPHX2 | |
| SCHEMBL12089884 | 0.80 | RAB9A (0.54) | PRSS1CTSGCTRB1CMA1EPHX2 | |
| SCHEMBL2925861 | 0.80 | SLC6A5 (0.46) | CYP1A2CYP2D6CYP2C9PRSS1CTSG | |
| SCHEMBL12011651 | 0.80 | SLC6A3 (0.40) | CYP1A2CYP2D6CYP2C9PRSS1CTSG | |
| SCHEMBL27794159 | 0.79 | CA2 (0.63) | EPHX2NR1H4 | |
| SCHEMBL15427269 | 0.79 | TRPV1 (0.51) | CYP1A2CYP2D6CYP2C9TRPV1LMNA | |
| SCHEMBL8591090 | 0.76 | RAB9A (0.49) | PRSS1CTSGCTRB1CMA1EPHX2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101472916-A | Chemical compounds | ASTRAZENECA AB (SE) | 2009-07-01 | — | — | CN | disclosed |