Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | LATS1 | O95835 | 1/20 | 0.38 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648852 | 0.77 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2HPGDHCAR3 | |
| SCHEMBL18274606 | 0.75 | GAA (0.51) | ALDH1A1KDM4ESMN1; SMN2GAATHRB | |
| SCHEMBL26551330 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2GAATHRB | |
| SCHEMBL24568175 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2HPGDHCAR3 | |
| SCHEMBL2343301 | 0.72 | — | — | |
| SCHEMBL28159887 | 0.72 | KDM4E (0.44) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL4628396 | 0.71 | FYN (0.47) | HCAR3HCAR2FYNLATS1LATS2 | |
| Pyridine SCHEMBL29126637 | 0.71 | KDM4E (0.47) | ALDH1A1KDM4ESMN1; SMN2GAAHCAR3 | |
| SCHEMBL5359859 | 0.70 | TSHR (0.42) | ALDH1A1KDM4ESMN1; SMN2GAATHRB | |
| SCHEMBL2224090 | 0.69 | KDM4E (0.46) | ALDH1A1KDM4ESMN1; SMN2GAATHRB |
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-1499599-A1 | SUBSTITUTED PYRAZINE DERIVATIVES | Pharmacia & Upjohn Company LLC (US) | 2005-01-26 | — | — | EP | claimed |
| WO-2003091225-A1 | SUBSTITUTED PYRAZINE DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 2003-11-06 | — | — | WO | claimed |