Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3348926 | 0.76 | S1PR4 (0.48) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL3349010 | 0.74 | LTA4H (0.38) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL7450150 | 0.64 | KDM4E (0.48) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL1823432 | 0.64 | LTA4H (0.43) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL29070189 | 0.63 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL21357357 | 0.62 | ERN1 (0.39) | ALDH1A1KDM4ERAB9ANPC1ERN1 | |
| SCHEMBL28080111 | 0.62 | KDM4E (0.49) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL499141 | 0.62 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL7212806 | 0.62 | KDM4E (0.50) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL27580702 | 0.62 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 |
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-2010045009-A1 | PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |