Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6254551 | 0.79 | CYP3A4 (0.50) | KCNH2CYP3A4CYP2C9KDM4EKIF11 | |
| SCHEMBL19474711 | 0.78 | CYP3A4 (0.59) | KCNH2CYP3A4CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL14193602 | 0.77 | CYP3A4 (0.46) | KCNH2CYP3A4CYP2C9KCNN4KIF11 | |
| SCHEMBL14564239 | 0.76 | CYP3A4 (0.64) | KCNH2CYP3A4CYP2C9CYP1A2KCNN4 | |
| SCHEMBL4837207 | 0.76 | CYP3A4 (0.44) | KCNH2CYP3A4CYP2C9CYP1A2RECQL | |
| SCHEMBL4837398 | 0.74 | KMT2A (0.44) | KCNH2CYP3A4CYP2C9CYP1A2KCNN4 | |
| SCHEMBL23623799 | 0.73 | NPC1 (0.54) | KDM4ETSHR | |
| SCHEMBL15797920 | 0.72 | CYP3A4 (0.76) | KCNH2CYP3A4CYP2C9LMNAKMT2A | |
| SCHEMBL31697495 | 0.70 | CYP2C19 (0.43) | KCNH2CYP3A4CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL31697469 | 0.70 | CYP2C19 (0.43) | KCNH2CYP3A4CYP2C9CYP2D6CYP1A2 |
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-2007092961-A2 | ANTIBACTERIAL AGENTS | UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGIES FOUNDATION (US) | 2007-08-16 | — | — | WO | disclosed |