Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ECE1 | P42892 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 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 | |
|---|---|---|---|---|
| SCHEMBL27266013 | 0.93 | ALDH1A1 (0.34) | ALDH1A1CYP1A2ECE1TP53SMN1; SMN2 | |
| SCHEMBL19302563 | 0.86 | ADRA1A (0.44) | ALDH1A1TP53SMN1; SMN2HPGDKMT2A | |
| SCHEMBL27369997 | 0.83 | ALDH1A1 (0.33) | ALDH1A1ECE1TP53SMN1; SMN2HPGD | |
| SCHEMBL15071678 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1ECE1TP53SMN1; SMN2HPGD | |
| SCHEMBL23805305 | 0.80 | ALDH1A1 (0.35) | ALDH1A1ECE1HPGDLMNASLC15A2 | |
| SCHEMBL13071570 | 0.80 | CYP3A4 (0.42) | ALDH1A1CYP1A2TP53SMN1; SMN2HPGD | |
| SCHEMBL21888407 | 0.80 | GABRR1 (0.50) | ALDH1A1CYP1A2TP53SMN1; SMN2HPGD | |
| SCHEMBL19302568 | 0.78 | ECE1 (0.35) | ECE1FOLH1NAALAD2GABRR1 | |
| SCHEMBL26818226 | 0.78 | ALDH1A1 (0.39) | ALDH1A1ECE1TP53SMN1; SMN2HPGD | |
| SCHEMBL12495987 | 0.77 | CASP2 (0.46) | ALDH1A1TP53SMN1; SMN2HPGDKMT2A |
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-2021058027-A1 | PYRROLO HETEROARYL DERIVATIVE OR CONJUGATE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2021-04-01 | — | — | WO | disclosed |