Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL4101378 | 0.92 | NPC1 (0.44) | HSP90AA1RAB9ANPC1TP53BRAF | |
| SCHEMBL4102052 | 0.91 | HSP90AA1 (0.50) | HSP90AA1RAB9ANPC1CCR6KDM4E | |
| SCHEMBL4095683 | 0.83 | DHFR (0.51) | RAB9ANPC1MAPTALOX15 | |
| SCHEMBL4101913 | 0.82 | TLR8 (0.47) | HSP90AA1ALDH1A1HSD17B10 | |
| SCHEMBL4107011 | 0.82 | NPC1 (0.47) | RAB9ANPC1CCR6ALDH1A1MAPT | |
| SCHEMBL4110201 | 0.81 | HSP90AA1 (0.46) | HSP90AA1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4112827 | 0.81 | MAP4K4 (0.41) | KDM4EALDH1A1MAPTGAAHPGD | |
| SCHEMBL4101142 | 0.80 | MAP4K4 (0.44) | PDE2A | |
| SCHEMBL4097644 | 0.80 | KDM4E (0.37) | HSP90AA1KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4107871 | 0.80 | ALDH1A1 (0.42) | HSP90AA1RAB9ANPC1CCR6KDM4E |
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-2008009076-A2 | SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES, INC. (US) | 2008-01-24 | — | — | WO | claimed |