Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL8452315 | 0.87 | PARP1 (0.62) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL1259 | 0.85 | PARP1 (0.64) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL4370629 | 0.85 | PARP1 (0.64) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL29351761 | 0.85 | PARP1 (0.64) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL18527283 | 0.84 | MEN1 (0.53) | PARP1KMT2AERCC5FEN1MAOB | |
| Bicarbonate SCHEMBL8988019 | 0.84 | PARP1 (0.55) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL11628321 | 0.84 | PARP1 (0.58) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL10664817 | 0.84 | PARP1 (0.58) | PARP1KMT2AKDM4EGAAERCC5 | |
| SCHEMBL11613703 | 0.84 | PARP1 (0.62) | PARP1KMT2AKDM4EGAAERCC5 | |
| Hydrochloric Acid SCHEMBL8503466 | 0.84 | PARP1 (0.62) | PARP1KMT2AKDM4EGAAERCC5 |
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-106456582-A | TrkA kinase inhibitors, compositions and methods thereof | 默沙东公司 | 2017-02-22 | — | — | CN | disclosed |