Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3977567 | 0.85 | NR4A2 (0.51) | NR4A2KDM4ESMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL27962544 | 0.83 | ALOX15 (0.38) | KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL28080897 | 0.80 | ALDH1A1 (0.42) | KDM4ESMN1; SMN2ALDH1A1CYP3A4MEN1 | |
| SCHEMBL3982902 | 0.76 | CA1 (0.46) | KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL27960054 | 0.76 | TUBB4A (0.44) | SMN1; SMN2ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL3978078 | 0.75 | ALDH1A1 (0.51) | KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL10892168 | 0.74 | NR4A2 (0.53) | NR4A2KDM4ESMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL3982880 | 0.73 | KMT2A (0.54) | KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL28080955 | 0.72 | IDO1 (0.46) | KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL27962545 | 0.72 | HDAC8 (0.44) | CYP2D6CYP2C9CYP2C19CYP1A2HDAC6 |
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-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |