Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL681379 | 0.85 | SLC6A4 (0.46) | KDM4EALDH1A1HPGDFDPSRCE1 | |
| SCHEMBL2129001 | 0.84 | TSHR (0.52) | KDM4EALDH1A1HPGDCYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL9993086 | 0.83 | CYP3A4 (0.48) | KDM4EALDH1A1HPGDFDPSSLC6A4 | |
| SCHEMBL6256881 | 0.81 | SLC6A4 (0.51) | KDM4EALDH1A1HPGDCYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL6637941 | 0.79 | SLC6A4 (0.50) | KDM4EALDH1A1HPGDCYP2D6TSHR | |
| SCHEMBL7512996 | 0.78 | SLC6A4 (0.54) | KDM4EALDH1A1TSHRSLC6A4SLC6A3 | |
| SCHEMBL11100773 | 0.77 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDCYP2D6FDPS | |
| SCHEMBL6280288 | 0.75 | PKM (0.58) | CA2CHRM2CYP3A4MAPT | |
| SCHEMBL23864028 | 0.75 | CHRM2 (0.49) | KDM4ECYP2D6TSHRSLC6A4SLC6A3 | |
| SCHEMBL22716808 | 0.75 | HTT (0.50) | CYP2D6TSHRCHRM2CYP3A4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8436006-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-05-07 | — | — | US | disclosed |
| US-8426429-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-04-23 | — | — | US | disclosed |
| US-8383637-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-02-26 | — | — | US | disclosed |