Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1068350 | 0.83 | KIF11 (0.43) | KDM1AKIF11TSHRALDH1A1 | |
| SCHEMBL145774 | 0.82 | MAOB (0.44) | KDM1AMAOBNOTUMKIF11IDO1 | |
| SCHEMBL2430768 | 0.82 | NT5E (0.43) | NOTUMIDO1CA12CA9 | |
| SCHEMBL5198912 | 0.81 | ALOX5 (0.41) | MAOBNOTUMIDO1TSHRPGR | |
| SCHEMBL143472 | 0.81 | IKBKB (0.43) | KDM1AMAOBNOTUMKIF11IDO1 | |
| SCHEMBL695494 | 0.81 | MAOB (0.43) | KDM1AMAOBNOTUMKIF11IDO1 | |
| SCHEMBL29678302 | 0.80 | TSHR (0.58) | KDM1AMAOBNOTUMKIF11IDO1 | |
| SCHEMBL1263144 | 0.80 | TSHR (0.58) | KDM1AMAOBNOTUMKIF11IDO1 | |
| SCHEMBL142774 | 0.79 | MAOB (0.51) | KDM1AMAOBNOTUMKIF11IDO1 | |
| SCHEMBL6988230 | 0.79 | KDM1A (0.50) | KDM1AMAOBNOTUMKIF11IDO1 |
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-1318985-A2 | 4-AMINO-QUINAZOLINES | MERCK PATENT GmbH (DE) | 2003-06-18 | — | — | EP | disclosed |
| WO-2002024666-A2 | 4-AMINO-QUINAZOLINES | MERCK PATENT GMBH (DE) | 2002-03-28 | — | — | WO | disclosed |