Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 3/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | TSPO | P30536 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14426365 | 0.82 | HPGD (0.38) | ALDH1A1HPGDKDM4ETDP1ENPP2 | |
| SCHEMBL837981 | 0.81 | HPGD (0.40) | ALDH1A1HPGDTAAR1KDM4ETDP1 | |
| SCHEMBL29893592 | 0.81 | HPGD (0.40) | ALDH1A1HPGDTAAR1KDM4ETDP1 | |
| SCHEMBL3812333 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDPNMTDPP4LOXL2 | |
| SCHEMBL24108195 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4ETDP1FFAR1 | |
| SCHEMBL2744577 | 0.78 | GRIA1 (0.42) | ALDH1A1HPGDPNMTDPP4TAAR1 | |
| SCHEMBL333588 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HPGDTAAR1KDM4ETDP1 | |
| SCHEMBL3942869 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HPGDTAAR1KDM4ETDP1 | |
| SCHEMBL27466618 | 0.78 | GABRA1 (0.40) | ALDH1A1HPGDPNMTDPP4LOXL2 | |
| SCHEMBL19234559 | 0.75 | PNMT (0.39) | ALDH1A1PNMTDPP4LOXL2TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101341133-A | Quinazoline derivatives, process for their preparation and their use as anti-cancer agents | ASTRAZENECA AB (SE) | 2009-01-07 | — | — | CN | disclosed |
| CN-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |
| CN-101048388-A | Quinazolinone derivatives and their use as B-Raf inhibitors | ASTRAZENECA AB (SE) | 2007-10-03 | — | — | CN | disclosed |