Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TIPARP | Q7Z3E1 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24675022 | 1.00 | ALDH1A1 (0.34) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675031 | 0.90 | PIK3CA (0.35) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675038 | 0.89 | VRK1 (0.36) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675026 | 0.88 | TIPARP (0.33) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675049 | 0.87 | KDM4E (0.32) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675040 | 0.87 | TIPARP (0.40) | ALDH1A1KDM4ESMN1; SMN2USP2KMT2A | |
| SCHEMBL24675021 | 0.84 | ALDH1A1 (0.36) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675033 | 0.84 | KDM4E (0.30) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24640730 | 0.83 | ALDH1A1 (0.35) | ALDH1A1KDM4ESMN1; SMN2USP2ALOX15 | |
| SCHEMBL24675067 | 0.80 | CYP1A2 (0.31) | TSHRHTR2AHTR2CHTR2BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022223022-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-10-27 | — | — | WO | disclosed |