Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4349382 | 0.83 | GAA (0.45) | ABCC1RAB9ANPC1ATMKMT2A | |
| SCHEMBL27782882 | 0.83 | ABCC1 (0.57) | ABCC1RAB9ANPC1POLBKMT2A | |
| SCHEMBL27264919 | 0.78 | HTT (0.64) | ABCC1RAB9ANPC1ATMPOLB | |
| SCHEMBL4347951 | 0.75 | NPC1 (0.44) | ABCC1RAB9ANPC1KMT2AGAA | |
| SCHEMBL5534979 | 0.74 | ABCC1 (0.58) | ABCC1RAB9ANPC1ATMPOLB | |
| SCHEMBL4346187 | 0.72 | EPHX1 (0.63) | RAB9ANPC1POLBKMT2ATSHR | |
| SCHEMBL26605784 | 0.72 | ATM (0.64) | ABCC1RAB9ANPC1ATMPOLB | |
| SCHEMBL11599130 | 0.72 | ATM (1.00) | ABCC1RAB9ANPC1ATMPOLB | |
| SCHEMBL6596567 | 0.71 | KMT2A (0.47) | RAB9ANPC1POLBKMT2AGAA | |
| SCHEMBL5533932 | 0.71 | RAB9A (0.65) | ABCC1RAB9ANPC1ATMPOLB |
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-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |