Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.47 |
| ▸ | NQO2 | P16083 | 4/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3452288 | 0.90 | MPO (0.67) | MPOHSD17B10PTGS1AKR1C3AKR1C2 | |
| SCHEMBL10078296 | 0.87 | MPO (0.51) | MPOSIGMAR1HSD17B10ABCB1MTNR1B | |
| SCHEMBL7820683 | 0.87 | NQO2 (0.61) | MPOHSD17B10PTGS1AKR1C3AKR1C2 | |
| SCHEMBL8515359 | 0.86 | MPO (0.51) | MPOSIGMAR1ABCB1MTNR1BNQO2 | |
| SCHEMBL6331474 | 0.82 | MPO (0.48) | MPOSIGMAR1MTNR1BNQO2MTNR1A | |
| SCHEMBL13937830 | 0.81 | MPO (0.77) | MPOSIGMAR1ABCB1MTNR1BNQO2 | |
| SCHEMBL20235191 | 0.79 | NQO2 (0.50) | MPOHSD17B10PTGS1AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL11078947 | 0.79 | MPO (0.55) | MPOSIGMAR1ABCB1MTNR1BNQO2 | |
| SCHEMBL8973409 | 0.79 | TDP1 (0.41) | — | |
| SCHEMBL12505919 | 0.79 | SIGMAR1 (0.47) | MPOSIGMAR1ABCB1MTNR1BNQO2 |
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-2012046253-A2 | PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS | MSN LABORATORIES LIMITED (IN) | 2012-04-12 | — | — | WO | disclosed |