Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29512854 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL5758060 | 0.75 | NOS2 (0.48) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL5844082 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL18370772 | 0.73 | ALDH1A1 (0.37) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL3249990 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL28173755 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL19203178 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL30570049 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL19202623 | 0.71 | CYP3A4 (0.40) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL3367639 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4TSHRMAPT |
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-1911756-B9 | Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto | ARENA PHARM INC (US) | 2010-05-26 | — | — | EP | disclosed |
| EP-1911756-B1 | Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto | ARENA PHARM INC (US) | 2009-10-21 | — | — | EP | disclosed |