Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 10/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.57 |
| ▸ | NPC1 | O15118 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CLK1 | P49759 | 1/20 | 0.57 |
| ▸ | GSK3A | P49840 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.57 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL180959 | 0.86 | MEN1 (0.61) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL13664061 | 0.86 | MEN1 (0.61) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL14617023 | 0.86 | MEN1 (0.61) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL1722325 | 0.86 | MEN1 (0.61) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL27790830 | 0.86 | MEN1 (0.63) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL180876 | 0.85 | MEN1 (0.57) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL28060088 | 0.83 | MEN1 (0.59) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL27769454 | 0.81 | MEN1 (0.67) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL27769395 | 0.76 | ALOX5 (0.56) | MEN1KMT2ANPC1MAPTCYP1A2 | |
| SCHEMBL12297791 | 0.75 | MEN1 (0.84) | MEN1KMT2ANPC1MAPTCYP1A2 |
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-103288721-B | (4-(4-[6-(trifluoromethylpyridin-3-base amino)-containing N heteroaryl]-phenyl)-cyclohexyl)-acetogenin and pharmaceutical use thereof | NOVARTIS AG (CH) | 2016-04-20 | — | — | CN | disclosed |