Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R8 | Q9NYW2 | 11/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6665465 | 0.88 | TAS2R8 (0.47) | TAS2R8ALDH1A1TSHRRAB9APLA2G1B | |
| SCHEMBL6664815 | 0.84 | TAS2R8 (0.44) | TAS2R8ALDH1A1TSHRRAB9APLA2G1B | |
| SCHEMBL6665236 | 0.83 | KMT2A (0.51) | ALDH1A1TSHRMAPK1SMN1; SMN2LMNA | |
| SCHEMBL6665174 | 0.80 | KMT2A (0.46) | ALDH1A1TSHRMAPK1SMN1; SMN2LMNA | |
| SCHEMBL6659535 | 0.80 | LMNA (0.47) | ALDH1A1SMN1; SMN2LMNAHTTMEN1 | |
| SCHEMBL6661011 | 0.78 | POLB (0.50) | ALDH1A1SMN1; SMN2LMNAHTTMEN1 | |
| SCHEMBL6665787 | 0.78 | SMN1; SMN2 (0.38) | ALDH1A1TSHRMAPK1SMN1; SMN2LMNA | |
| SCHEMBL6660040 | 0.76 | KMT2A (0.44) | ALDH1A1TSHRMAPK1SMN1; SMN2LMNA | |
| SCHEMBL6666190 | 0.76 | SMN1; SMN2 (0.41) | ALDH1A1RAB9ASMN1; SMN2LMNAHTT | |
| SCHEMBL6661746 | 0.76 | KMT2A (0.44) | ALDH1A1TSHRMAPK1SMN1; SMN2LMNA |
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-1257552-B1 | XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS | AVENTIS PHARMA SA (FR) | 2004-08-18 | — | — | EP | disclosed |