Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | UBE2N | P61088 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 4/20 | 0.47 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16432600 | 1.00 | ADRB1 (0.55) | ADRB1KMT2AATMKDM4EALDH1A1 | |
| SCHEMBL31421020 | 0.85 | PANK3 (0.49) | ALDH1A1ACHEHTR1APANK3ROCK2 | |
| SCHEMBL29324869 | 0.83 | PANK3 (0.48) | KMT2AKDM4EALDH1A1ACHEHTR1A | |
| SCHEMBL10845137 | 0.81 | ACHE (0.48) | KMT2AATMKDM4EALDH1A1ACHE | |
| SCHEMBL567862 | 0.81 | PIK3CA (0.50) | KDM4EALDH1A1ACHEPANK3ROCK2 | |
| SCHEMBL11113633 | 0.76 | ADRB1 (0.61) | ADRB1KDM4EALDH1A1ACHEROCK2 | |
| SCHEMBL27227384 | 0.76 | PANK3 (0.60) | ALDH1A1GAAACHEHTR1APANK3 | |
| SCHEMBL24126678 | 0.75 | ACHE (0.53) | ACHEHTR1APANK3CTSK | |
| SCHEMBL20804981 | 0.75 | PANK3 (0.61) | KMT2AALDH1A1ACHEPANK3 | |
| SCHEMBL4501470 | 0.75 | ADRB1 (0.59) | ADRB1KDM4EALDH1A1ACHEROCK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115745971-B | PARP7 inhibitor and application thereof | 北京华森英诺生物科技有限公司 | 2024-07-30 | — | — | CN | disclosed |
| CN-115745971-A | PARP7 inhibitor and application thereof | 重庆华森制药股份有限公司 | 2023-03-07 | — | — | CN | disclosed |