Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.60 |
| ▸ | NCK1 | P16333 | 1/20 | 0.60 |
| ▸ | CTSD | P07339 | 1/20 | 0.52 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL15344932 | 0.79 | BACE1 (0.60) | BACE1NCK1CTSDPLAUNOS3 | |
| SCHEMBL20929593 | 0.79 | CCR1 (0.56) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL12386956 | 0.77 | ALDH1A1 (0.62) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL7048523 | 0.76 | BACE1 (1.00) | BACE1NCK1CTSDPLAUNOS2 | |
| SCHEMBL31145084 | 0.76 | CCR1 (0.52) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL13134511 | 0.76 | CCR1 (0.52) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL4019673 | 0.75 | NOS3 (0.69) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL5478956 | 0.74 | BACE1 (0.62) | BACE1NCK1CTSDPLAUNOS2 | |
| SCHEMBL27960721 | 0.74 | BACE1 (0.57) | BACE1NCK1CTSDPLAUNOS3 | |
| SCHEMBL29804792 | 0.74 | PIK3CA (0.51) | CCR1CCR5CCR8HDAC6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574835-B | Compounds for the treatment of cancer | SPLICOS SOC | 2014-04-16 | — | — | CN | claimed |
| CN-103948594-A | Compounds for the treatment of cancer | SPLICOS SOC | 2014-07-30 | — | — | CN | disclosed |
| CN-102574835-B | Compounds for the treatment of cancer | SPLICOS SOC | 2014-04-16 | — | — | CN | disclosed |