Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28106795 | 0.94 | ALDH1A1 (0.40) | ALDH1A1GAACYP2D6CYP1A2KMT2A | |
| SCHEMBL27687421 | 0.89 | STAT3 (0.38) | ALDH1A1CYP2D6CYP1A2KMT2AMAPK1 | |
| SCHEMBL27988677 | 0.88 | ALDH1A1 (0.42) | ALDH1A1GAACYP2D6CYP1A2KMT2A | |
| SCHEMBL27833492 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL28095478 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL28795040 | 0.83 | CYP2D6 (0.38) | ALDH1A1CYP2D6CYP1A2KMT2AMAPK1 | |
| SCHEMBL28555962 | 0.82 | CYP2D6 (0.49) | ALDH1A1GAACYP2D6CYP1A2HPGD | |
| SCHEMBL27663329 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CYP2D6CYP1A2KMT2AMAPK1 | |
| SCHEMBL28196808 | 0.81 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2ATMLMNA | |
| SCHEMBL28159934 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAACYP2D6CYP1A2KMT2A |
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-102884059-B | N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof | DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) | 2015-08-26 | — | — | CN | disclosed |
| CN-102884059-A | N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof | DAINIPPON SUMITOMO PHARMA CO | 2013-01-16 | — | — | CN | disclosed |