Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | HPGD | P15428 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 4/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18945760 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL18945912 | 0.78 | CDH1 (0.49) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL18945927 | 0.77 | NAMPT (0.47) | MAPTNAMPT | |
| SCHEMBL18945729 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL18945918 | 0.76 | TDP1 (0.45) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL10210428 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL15378223 | 0.73 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EGAACYP1A2 | |
| SCHEMBL10210167 | 0.73 | HPGD (0.51) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL10211273 | 0.73 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EGAANPC1 | |
| SCHEMBL10210070 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4EGAANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |