Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1203645 | 0.69 | ITGB2 (0.47) | MEN1KMT2AMLYCDHTT | |
| SCHEMBL16623599 | 0.68 | AURKA (0.42) | EGFRKDM4ECYP1A2AURKAAURKB | |
| SCHEMBL24019668 | 0.68 | CTSA (0.49) | SMN1; SMN2KDM4EMEN1KMT2ANLRP3 | |
| SCHEMBL22963000 | 0.66 | AURKA (0.43) | EGFRAURKAAURKBINCENPPARP1 | |
| SCHEMBL162354 | 0.66 | ALDH1A1 (0.44) | KDM4EALOX5MCL1MLYCDALDH1A1 | |
| SCHEMBL8967436 | 0.66 | KDM4E (0.48) | SMN1; SMN2KDM4EMEN1KMT2ANLRP3 | |
| SCHEMBL3652772 | 0.66 | NAPRT (0.41) | EGFRKDM4EALDH1A1PARP1ROCK2 | |
| SCHEMBL8763093 | 0.64 | MAPT (0.38) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL103927 | 0.63 | ALDH1A1 (0.70) | SMN1; SMN2KDM4EALOX5ALDH1A1HTT | |
| SCHEMBL12376697 | 0.63 | KDM4E (0.49) | KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892621-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |