Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24496623 | 0.83 | CCNA2 (0.32) | CCNA2CDK2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24251715 | 0.83 | CCNA2 (0.32) | CCNA2CDK2ALDH1A1KDM4EGRM1 | |
| SCHEMBL24251664 | 0.83 | CYP1A2 (0.37) | CCNA2CDK2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL24251663 | 0.79 | LMNA (0.39) | KDM4ELMNAHTTKMT2ARAB9A | |
| SCHEMBL24251774 | 0.77 | IAPP (0.43) | CCNA2CDK2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL24496546 | 0.74 | P2RX7 (0.40) | CCNA2CDK2ALDH1A1KDM4EGRM1 | |
| SCHEMBL13947026 | 0.72 | IDO1 (0.41) | ALDH1A1HTTCCR1RAB9ACCR5 | |
| SCHEMBL19122563 | 0.71 | NPSR1 (0.51) | ALDH1A1LMNAKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL24496571 | 0.71 | CYP1A2 (0.36) | CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL13044656 | 0.70 | IDO1 (0.42) | ALDH1A1KDM4ELMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023011505-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY | 上海和誉生物医药科技有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2022033455-A1 | TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-02-17 | — | — | WO | disclosed |