Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.45 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2822182 | 0.89 | ALK (0.48) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| Hydrochloric Acid SCHEMBL21492794 | 0.83 | MAOB (0.49) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| Hydrochloric Acid SCHEMBL30744520 | 0.83 | MAOB (0.49) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL24214370 | 0.80 | ALDH1A1 (0.55) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL30376503 | 0.80 | ALDH1A1 (0.55) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL3609013 | 0.80 | MEN1 (0.59) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL243561 | 0.78 | POLB (0.56) | SCD5ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL156739 | 0.78 | TAAR1 (0.67) | KDM4EALDH1A1GAATAAR1HDAC1 | |
| SCHEMBL30525290 | 0.78 | TAAR1 (0.67) | KDM4EALDH1A1GAATAAR1HDAC1 | |
| SCHEMBL12003036 | 0.77 | MAOB (0.51) | SCD5ADORA2BADORA2AADORA1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113509467-A | Compound for treating pulmonary hypertension and application thereof | 华东理工大学 | 2021-10-19 | — | — | CN | disclosed |