Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.55 |
| ▸ | MAPT | P10636 | 9/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3172219 | 1.00 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL3161518 | 0.93 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL3161514 | 0.93 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL3171389 | 0.90 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL3171377 | 0.90 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL3155554 | 0.86 | ADORA2A (0.51) | ALDH1A1MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL3155570 | 0.86 | ADORA2A (0.51) | ALDH1A1MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL3166829 | 0.84 | CYP1A2 (0.51) | ALDH1A1MAPTLMNARECQLHPGD | |
| SCHEMBL3166815 | 0.84 | CYP1A2 (0.51) | ALDH1A1MAPTLMNARECQLHPGD | |
| SCHEMBL3165800 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNASMN1; SMN2MAPK1 |
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-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |