Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MDH2 | P40926 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.45 |
| ▸ | FPR1 | P21462 | 3/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | CTSV | O60911 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL5040429 | 0.88 | ALDH1A1 (0.60) | ALDH1A1HPGDSMN1; SMN2MDH2GABRA1 | |
| Nequinate SCHEMBL1509158 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2MDH2GABRA1 | |
| Nequinate SCHEMBL29365503 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2MDH2GABRA1 | |
| SCHEMBL5033245 | 0.78 | POLB (0.45) | NR1H4POLBMTNR1ACTSVCTSL | |
| SCHEMBL5161582 | 0.74 | GABRA1 (0.64) | ALDH1A1HPGDSMN1; SMN2MDH2GABRA1 | |
| SCHEMBL20272166 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2GABRA1GABRB2 | |
| SCHEMBL6021884 | 0.73 | MDH2 (0.65) | ALDH1A1HPGDSMN1; SMN2MDH2SLC22A6 | |
| SCHEMBL9425394 | 0.72 | ALDH1A1 (0.72) | ALDH1A1HPGDSMN1; SMN2MDH2LMNA | |
| SCHEMBL5159020 | 0.71 | GABRA1 (0.62) | ALDH1A1HPGDSMN1; SMN2MDH2GABRA1 | |
| SCHEMBL20022015 | 0.71 | HTR1D (0.57) | LMNAMAPTPOLBCTSVCTSL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1244543-C | Method for preparing 4-(alkyl)-3-alkoxy-aniline compounds | MERIAL SAS (FR) | 2006-03-08 | — | — | CN | disclosed |
| CN-1264362-A | Process for preparing 4- (alkyl) -3-alkoxy-aniline compounds | MERIAL SAS (FR) | 2000-08-23 | — | — | CN | disclosed |