Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | RAD52 | P43351 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30159718 | 1.00 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28118851 | 0.90 | RAD52 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19382614 | 0.87 | CYP1A2 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27751211 | 0.87 | ALDH1A1 (0.50) | RAD52CYP1A2PDE10APDE3BPDE3A | |
| Methyl Alcohol SCHEMBL28118845 | 0.86 | RAD52 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4789564 | 0.82 | CYP1A2 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8558574 | 0.82 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12507691 | 0.79 | PDE4A (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12507690 | 0.79 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9040694 | 0.79 | ALDH1A1 (0.60) | RAD52CYP1A2CYP2A6KDM4ESMN1; SMN2 |
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-103880839-B | 13a-(S) deoxygenates tylophorinine derivant, its pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2016-12-21 | — | — | CN | disclosed |