Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3096053 | 0.86 | ADORA3 (0.59) | HTTADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL16628837 | 0.85 | ADORA3 (0.58) | ADORA3ADORA2AADORA1ADORA2BKMT2A | |
| SCHEMBL3094118 | 0.85 | ADORA3 (0.58) | HTTADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL3087918 | 0.83 | ADORA3 (0.62) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL3085053 | 0.83 | ADORA3 (0.55) | HTTADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL3093862 | 0.82 | ADORA2A (0.62) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL3081056 | 0.81 | ADORA2A (0.70) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL3093664 | 0.81 | ADORA3 (0.55) | ADORA3ADORA2AADORA1ADORA2BKMT2A | |
| SCHEMBL3087861 | 0.80 | ADORA3 (0.65) | HTTADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL3081770 | 0.80 | ADORA3 (0.58) | HTTADORA3ADORA2AADORA1ADORA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | claimed |