Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4422968 | 0.90 | CA1 (0.48) | ESR2APPCA12CA1CA2 | |
| SCHEMBL2213226 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL31512670 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL29022643 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL183073 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL10057879 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL10057657 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL10057769 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL2511345 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 | |
| SCHEMBL184588 | 0.88 | ESR2 (0.56) | ESR2APPCA12CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111233681-B | Star-shaped tetramine pyrene compound, preparation method and application thereof | 中国科学院化学研究所 | 2021-02-02 | — | — | CN | claimed |
| CN-111233681-A | Star-shaped tetramine pyrene compound, preparation method and application thereof | 中国科学院化学研究所 | 2020-06-05 | — | — | CN | claimed |
| CN-111233681-B | Star-shaped tetramine pyrene compound, preparation method and application thereof | 中国科学院化学研究所 | 2021-02-02 | — | — | CN | disclosed |
| CN-111233681-A | Star-shaped tetramine pyrene compound, preparation method and application thereof | 中国科学院化学研究所 | 2020-06-05 | — | — | CN | disclosed |