Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA7 | P43166 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28293228 | 1.00 | POLB (0.44) | POLBKDM4ESIRT1CA12CA7 | |
| SCHEMBL29965404 | 0.82 | MAPT (0.49) | POLBKDM4ESIRT1CA12CA7 | |
| SCHEMBL28293226 | 0.82 | MAPT (0.49) | POLBKDM4ESIRT1CA12CA7 | |
| SCHEMBL29964942 | 0.81 | SIRT1 (0.46) | POLBKDM4ESIRT1CA12CA7 | |
| SCHEMBL29965072 | 0.79 | TSHR (0.45) | POLBKDM4EALDH1A1TP53CYP3A4 | |
| SCHEMBL28937103 | 0.76 | MAOB (0.52) | POLBRAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28293234 | 0.76 | ESR1 (0.45) | SIRT1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29965991 | 0.76 | ESR1 (0.45) | SIRT1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL31303889 | 0.73 | KMT2A (0.50) | POLBKDM4ECA12CA7RAB9A | |
| SCHEMBL28291792 | 0.73 | ALDH1A1 (0.47) | POLBKDM4ESIRT1SMN1; SMN2ALDH1A1 |
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-109721580-B | 3-phenyl-7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |