Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.76 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | VNN1 | O95497 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL10277408 | 0.87 | PARP1 (0.59) | PARP1MAPTPOLBCYP3A4TSHR | |
| Trifluoroacetic Acid SCHEMBL29713373 | 0.87 | PARP1 (0.59) | PARP1MAPTPOLBCYP3A4TSHR | |
| SCHEMBL11557655 | 0.87 | PARP1 (1.00) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| SCHEMBL283924 | 0.87 | PARP1 (1.00) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5672267 | 0.86 | NPC1 (0.54) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4374011 | 0.85 | PARP1 (0.96) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL407680 | 0.85 | PARP1 (0.96) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL27673538 | 0.85 | PARP1 (0.96) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL29245832 | 0.84 | PARP1 (0.85) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL14656576 | 0.83 | PARP1 (0.51) | PARP1ERCC5FEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108699105-A | Novel difluoro keto acyl amine derivative as HTRA1 inhibitor | 豪夫迈·罗氏有限公司 | 2018-10-23 | — | — | CN | claimed |
| CN-108699105-A | Novel difluoro keto acyl amine derivative as HTRA1 inhibitor | 豪夫迈·罗氏有限公司 | 2018-10-23 | — | — | CN | disclosed |