Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661209 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL23978690 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL7400240 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL8695483 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL265561 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL12191612 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL7933968 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL265176 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL12292742 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 | |
| SCHEMBL8954882 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KMT2ASLC6A2SLC6A3TDP1 |
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-101035772-B | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-12-14 | — | — | CN | disclosed |
| CN-101035772-A | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-09-12 | — | — | CN | disclosed |
| CN-101035771-A | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-09-12 | — | — | CN | disclosed |