Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 3/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17184518 | 0.82 | ALDH1A1 (0.43) | HSD17B10ALDH1A1HPGDALOX15CYP1A2 | |
| SCHEMBL1614867 | 0.77 | CYP2C19 (0.54) | SCN1ASCN2ASCN3AHSD17B10CYP1A2 | |
| Hydrochloric Acid SCHEMBL2861649 | 0.76 | CYP2C19 (0.55) | SCN1ASCN2ASCN3AHSD17B10ALDH1A1 | |
| SCHEMBL3188926 | 0.73 | ALDH1A1 (0.51) | HSD17B10ALDH1A1HPGDALOX15MEN1 | |
| SCHEMBL9564283 | 0.72 | ALDH1A1 (0.44) | HSD17B10ALDH1A1HPGDALOX15CYP1A2 | |
| SCHEMBL17184519 | 0.71 | MEN1 (0.48) | HSD17B10ALDH1A1HPGDALOX15MEN1 | |
| SCHEMBL4221493 | 0.71 | SCN1A (0.44) | SCN1ASCN2ASCN3AHSD17B10ALDH1A1 | |
| SCHEMBL8409107 | 0.71 | ALDH1A1 (0.49) | HSD17B10ALDH1A1HPGDALOX15MEN1 | |
| SCHEMBL26837588 | 0.71 | PDE10A (0.41) | HSD17B10ALDH1A1HPGDALOX15MEN1 | |
| SCHEMBL24683697 | 0.69 | OPRM1 (0.54) | SCN1ASCN2ASCN3AHSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2661428-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-11-13 | — | — | EP | disclosed |
| WO-2012087861-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |