Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13089489 | 0.84 | KDM4E (0.39) | AURKARPS6KB1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21427687 | 0.77 | AURKA (0.37) | AURKARPS6KB1 | |
| SCHEMBL13594207 | 0.69 | NPSR1 (0.37) | NPSR1ALDH1A1MAPTRAB9APOLB | |
| SCHEMBL20182048 | 0.66 | — | — | |
| SCHEMBL14064823 | 0.66 | CYP1A2 (0.36) | AURKARPS6KB1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12045440 | 0.64 | MTNR1A (0.38) | NPSR1ALDH1A1MAPTRAB9APOLB | |
| SCHEMBL18688052 | 0.63 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL24495630 | 0.63 | NPSR1 (0.38) | NPSR1ALDH1A1MAPTRAB9APOLB | |
| SCHEMBL13369575 | 0.63 | NPSR1 (0.38) | NPSR1ALDH1A1MAPTRAB9APOLB | |
| SCHEMBL13465562 | 0.62 | NPSR1 (0.40) | NPSR1ALDH1A1MAPTRAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010120943-A1 | NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2010-10-21 | — | — | WO | disclosed |