Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL22721077 | 0.90 | MAPT (0.44) | ALDH1A1HPGDSMN1; SMN2HTR7LMNA | |
| SCHEMBL22728614 | 0.85 | ADRB1 (0.50) | ALDH1A1HPGDSMN1; SMN2ADRB1LMNA | |
| SCHEMBL29489680 | 0.85 | ADRB1 (0.50) | ALDH1A1HPGDSMN1; SMN2ADRB1LMNA | |
| SCHEMBL29732367 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CHRNA7HTR3ACHRNB4 | |
| SCHEMBL22728522 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CHRNA7HTR3ACHRNB4 | |
| SCHEMBL14704620 | 0.79 | BPTF (0.56) | ALDH1A1HPGDSMN1; SMN2ADRB1HTR7 | |
| SCHEMBL10111971 | 0.79 | BPTF (0.56) | ALDH1A1HPGDSMN1; SMN2ADRB1HTR7 | |
| SCHEMBL10353420 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HPGDSMN1; SMN2ADRB1HTR7 | |
| Oxalic Acid SCHEMBL22721079 | 0.77 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2ADRB1LMNA | |
| Oxalic Acid SCHEMBL29732442 | 0.77 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2ADRB1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3978497-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-04-06 | — | — | EP | disclosed |
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |