Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2194237 | 0.91 | CYP1A2 (0.53) | CLK4ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL2198240 | 0.87 | ALDH1A1 (0.54) | ALDH1A1LMNAKDM4ENPSR1KMT2A | |
| SCHEMBL2198322 | 0.86 | EPHX2 (0.48) | ALDH1A1LMNANPSR1KMT2AHPGD | |
| SCHEMBL2198508 | 0.85 | BRD4 (0.46) | CLK4ALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL2199265 | 0.82 | CLK4 (0.51) | CLK4ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL2197166 | 0.81 | EGFR (0.53) | CLK4ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL2197577 | 0.81 | CYP3A4 (0.62) | CLK4ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL13146631 | 0.81 | POLB (0.55) | CLK4ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL2198386 | 0.79 | PDE5A (0.53) | CLK4ALDH1A1LMNANPSR1KMT2A | |
| SCHEMBL2197230 | 0.78 | KDM4E (0.53) | ALDH1A1LMNAKDM4EHTTSMN1; SMN2 |
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-7977360-B2 | Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2011-07-12 | — | — | US | claimed |
| US-7977360-B2 | Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2011-07-12 | — | — | US | disclosed |