Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MME | P08473 | 3/20 | 0.48 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9272431 | 0.86 | HPGD (0.60) | POLBNPC1RAB9ACYP3A4MAPK1 | |
| SCHEMBL2543478 | 0.86 | HPGD (0.60) | POLBNPC1RAB9ACYP3A4MAPK1 | |
| SCHEMBL21628079 | 0.86 | MME (0.50) | NPC1RAB9ACYP3A4MAPK1MME | |
| SCHEMBL16009906 | 0.84 | CYP3A4 (0.51) | NPC1RAB9ACYP3A4MAPK1MME | |
| SCHEMBL8980086 | 0.84 | HDAC3 (0.48) | SIGMAR1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL16991721 | 0.82 | MMP8 (0.46) | NPC1RAB9ACYP3A4MAPK1MME | |
| SCHEMBL28678626 | 0.81 | ATM (0.68) | CYP3A4 | |
| SCHEMBL13999532 | 0.81 | ATM (0.68) | CYP3A4 | |
| SCHEMBL13999332 | 0.81 | ATM (0.68) | CYP3A4 | |
| SCHEMBL9047970 | 0.80 | TBXAS1 (0.43) | SIGMAR1HDAC3HDAC4HDAC1HDAC2 |
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-8163792-B2 | IAP BIR domain binding compounds | PHARMASCIENCE INC. (CA) | 2012-04-24 | — | — | US | claimed |
| CN-113195496-A | Imidazopyrazine derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |