Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | FCGR1A | P12314 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11441588 | 0.88 | CYP1A2 (0.47) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL200831 | 0.86 | MAPK1 (0.63) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL10707004 | 0.85 | POLB (0.60) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL10712366 | 0.85 | CYP1A2 (0.53) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL30490040 | 0.85 | MAPT (0.47) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL11436903 | 0.85 | MAPK1 (0.44) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL597831 | 0.84 | MAPT (0.57) | RAB9ANPC1GAAHPGDLMNA | |
| SCHEMBL23400622 | 0.82 | LMNA (0.54) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL31522203 | 0.82 | SLC34A1 (0.47) | MAPK1CYP1A2CYP2C19RAB9AFCGR1A | |
| SCHEMBL11449862 | 0.82 | LMNA (0.66) | RAB9ANPC1NTRK1LMNAPOLB |
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-113336704-B | Danshensu derivative and preparation method and medical application thereof | 上海大学 | 2022-10-11 | — | — | CN | claimed |
| CN-113336704-A | Danshensu derivative and preparation method and medical application thereof | 上海大学 | 2021-09-03 | — | — | CN | claimed |
| CN-113336704-B | Danshensu derivative and preparation method and medical application thereof | 上海大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113336704-A | Danshensu derivative and preparation method and medical application thereof | 上海大学 | 2021-09-03 | — | — | CN | disclosed |