Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 3/20 | 0.66 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 3/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | LYN | P07948 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16332159 | 0.86 | FYN (0.56) | FYNCYP1A2CYP3A4CLK4CYP2C9 | |
| SCHEMBL16331859 | 0.85 | FYN (0.48) | FYNCYP1A2CYP3A4HPGDCLK4 | |
| SCHEMBL12492572 | 0.84 | FYN (0.70) | FYNCYP11B2SRCLYNBTK | |
| SCHEMBL16332522 | 0.83 | FYN (0.68) | FYNCYP1A2CYP3A4HPGDCLK4 | |
| SCHEMBL27950283 | 0.80 | FYN (0.67) | FYNALDH1A1SRCLYNBTK | |
| SCHEMBL18613214 | 0.80 | FYN (1.00) | FYNSRCFGFR1BTK | |
| SCHEMBL30521916 | 0.80 | FYN (1.00) | FYNSRCFGFR1BTK | |
| SCHEMBL16331835 | 0.79 | FYN (0.81) | FYNCYP11B2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL12492915 | 0.79 | FYN (0.83) | FYNCYP1A2SRCFGFR1LYN | |
| SCHEMBL12492640 | 0.78 | FYN (0.66) | FYNCDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2686318-A1 | PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS | Cancer Research Technology Ltd (GB) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123745-A1 | PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2012-09-20 | — | — | WO | disclosed |