Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 7/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | PTPRB | P23467 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL384396 | 0.89 | ALDH1A1 (0.42) | CA2MAPTALDH1A1LMNAPKM | |
| SCHEMBL12944323 | 0.83 | ALDH1A1 (0.43) | CA2MAPTALDH1A1LMNAPKM | |
| SCHEMBL3089832 | 0.79 | ALDH1A1 (0.45) | CA2ALDH1A1TSHRCA1CA9 | |
| SCHEMBL28968914 | 0.79 | ALDH1A1 (0.45) | CA2ALDH1A1TSHRCA1CA9 | |
| SCHEMBL30096737 | 0.78 | ALDH1A1 (0.41) | CA2MAPTALDH1A1LMNAPKM | |
| SCHEMBL30096762 | 0.78 | ALDH1A1 (0.41) | CA2MAPTALDH1A1LMNAPKM | |
| SCHEMBL22006099 | 0.78 | CA2 (0.40) | CA2MAPTALDH1A1LMNAPKM | |
| SCHEMBL29255200 | 0.74 | ALDH1A1 (0.42) | CA2ALDH1A1LMNAPKMTSHR | |
| SCHEMBL8193095 | 0.74 | ALDH1A1 (0.43) | CA2ALDH1A1LMNAPKMHPGD | |
| SCHEMBL25022221 | 0.73 | CA2 (0.41) | CA2TSHRCA1CA7ATM |
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-103351389-B | Aminopurine, its composition that halogenated aryl replaces, and use it for the method for the treatment of | SIGNAL PHARM LLC (US) | 2015-10-28 | — | — | CN | disclosed |