Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | TCF4 | P15884 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9931166 | 0.83 | CCR2 (0.67) | ALDH1A1CCR2MEN1KMT2A | |
| SCHEMBL9967987 | 0.75 | TERT (0.51) | ALDH1A1MAPTCCR2SMN1; SMN2 | |
| SCHEMBL16119560 | 0.75 | CYP2C9 (0.76) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL29535237 | 0.75 | CYP2C9 (0.76) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL9930216 | 0.75 | CCR2 (0.64) | ALDH1A1CCR2 | |
| SCHEMBL13510407 | 0.74 | EP300 (0.68) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL7573928 | 0.73 | CYP2C9 (0.82) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL2174600 | 0.72 | FFAR4 (0.61) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL9967885 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRNPSR1SMN1; SMN2MEN1 | |
| SCHEMBL17340511 | 0.72 | ALDH1A1 (0.63) | ALDH1A1TSHRKDM4ELMNAHTT |
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-2012082633-A1 | NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-21 | — | — | WO | disclosed |