Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NCK1 | P16333 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15831584 | 0.82 | CCR1 (0.53) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL15831606 | 0.82 | CYP1A2 (0.42) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL15813419 | 0.78 | NMT1 (0.38) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL15831560 | 0.77 | CYP1A2 (0.41) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL27731297 | 0.77 | CYP1A2 (0.63) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL29444268 | 0.76 | CYP1A2 (1.00) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL161703 | 0.76 | CYP1A2 (1.00) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL21618429 | 0.75 | CYP1A2 (0.61) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL15831573 | 0.74 | CYP1A2 (0.34) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL4140727 | 0.74 | ESR1 (0.41) | CYP1A2KDM4ELMNAPOLBCASP6 |
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-2011086469-A1 | MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-07-21 | — | — | WO | disclosed |