Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL31149912 | 0.91 | ADORA3 (0.48) | ADORA3ADORA2BADORA2AADORA1ALDH1A1 | |
| SCHEMBL29645760 | 0.85 | MAPT (0.56) | ADORA3ADORA1ALDH1A1 | |
| SCHEMBL29645658 | 0.84 | ADORA3 (0.51) | ADORA3ADORA2AADORA1ALDH1A1HSD17B10 | |
| SCHEMBL29645503 | 0.80 | ADORA3 (0.49) | ADORA3ADORA2AADORA1 | |
| SCHEMBL29645527 | 0.80 | MAPT (0.41) | — | |
| SCHEMBL29645533 | 0.80 | MAPT (0.41) | ADORA3ADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29645843 | 0.80 | KMT2A (0.44) | ADORA3ADORA1ALDH1A1HPGDTSHR | |
| SCHEMBL29645888 | 0.80 | MAPT (0.55) | ADORA3ADORA2AADORA1 | |
| SCHEMBL29645430 | 0.80 | NPC1 (0.48) | ADORA3ADORA1ALDH1A1 | |
| SCHEMBL29645834 | 0.80 | ADORA3 (0.49) | ADORA3ADORA2AADORA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | claimed |
| CN-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | disclosed |