Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564866 | 0.82 | EGFR (0.41) | TDP1MAPTALDH1A1LMNAHTT | |
| SCHEMBL2067492 | 0.80 | TDP1 (0.48) | TDP1MAPTATMALDH1A1LMNA | |
| SCHEMBL5252473 | 0.80 | TDP1 (0.48) | TDP1MAPTALDH1A1LMNAHTT | |
| SCHEMBL29563051 | 0.77 | ALDH1A1 (0.49) | TDP1MAPTALDH1A1LMNAHTT | |
| SCHEMBL8568613 | 0.77 | EGFR (0.39) | TDP1MAPTALDH1A1LMNAHTT | |
| SCHEMBL17512681 | 0.77 | TDP1 (0.46) | TDP1MAPTATMALDH1A1LMNA | |
| SCHEMBL474593 | 0.77 | NOS3 (0.52) | TDP1MAPTALDH1A1LMNAHTT | |
| SCHEMBL22498154 | 0.77 | ALDH1A1 (0.47) | TDP1MAPTALDH1A1LMNAHTT | |
| SCHEMBL8564092 | 0.77 | MAPK1 (0.47) | TDP1MAPTALDH1A1HIF1AEGFR | |
| SCHEMBL29492839 | 0.77 | NOS3 (0.52) | TDP1MAPTALDH1A1LMNAHTT |
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-104781251-B | Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle | 百时美施贵宝公司 | 2016-12-14 | — | — | CN | disclosed |