Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.45 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21473086 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL16971227 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL16971225 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL27401905 | 0.82 | HSD17B10 (0.58) | ALDH1A1TSHRTDP1ERN1LMNA | |
| SCHEMBL5593051 | 0.81 | ERN1 (0.62) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL16744588 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL15233543 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL25540567 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL3062923 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1CYP3A4ERN1 | |
| SCHEMBL15802632 | 0.81 | ERN1 (0.45) | ALDH1A1TSHRTDP1CYP3A4ERN1 |
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-2015158204-A1 | AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF | 上海恒瑞医药有限公司 | 2015-10-22 | — | — | WO | disclosed |