Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 2/20 | 0.76 |
| ▸ | CA6 | P23280 | 1/20 | 0.76 |
| ▸ | CA7 | P43166 | 1/20 | 0.76 |
| ▸ | CA9 | Q16790 | 1/20 | 0.76 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenylarsonic Acid SCHEMBL28378839 | 0.98 | CA4 (0.80) | CA4CA6CA7CA9CA14 | |
| Phenylarsonic Acid SCHEMBL27807636 | 0.90 | CA4 (0.94) | CA4CA6CA7CA9CA14 | |
| Phenylarsonic Acid SCHEMBL10784553 | 0.87 | CA4 (1.00) | CA4CA6CA7CA9CA14 | |
| Phenylarsonic Acid SCHEMBL707127 | 0.87 | CA4 (1.00) | CA4CA6CA7CA9CA14 | |
| Phenylarsonic Acid SCHEMBL29484151 | 0.79 | CA4 (0.73) | CA4CA6CA7CA9CA14 | |
| Arsanilic Acid SCHEMBL29203957 | 0.74 | TSHR (0.82) | CA4CA6CA7CA9CA14 | |
| Arsanilic Acid SCHEMBL29147746 | 0.74 | TSHR (0.82) | CA4CA6CA7CA9CA14 | |
| Phenylarsonic Acid SCHEMBL28506289 | 0.74 | CA4 (0.73) | CA4CA6CA7CA9CA14 | |
| Ethylene Glycol SCHEMBL29221282 | 0.74 | CA4 (0.46) | CA4CA6CA7CA9CA14 | |
| SCHEMBL10784556 | 0.73 | CA4 (0.71) | CA4CA6CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890821-A | Amino-pyrrolopyrimidine ketone compound and its application method | 艾科尔公司 | 2019-06-14 | — | — | CN | disclosed |