Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 11/20 | 0.45 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.43 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14744167 | 0.87 | PARP1 (0.44) | PARP10PARP4PARP1CA2PARP2 | |
| SCHEMBL29639813 | 0.84 | CES1 (0.35) | CA2CA1LMNA | |
| SCHEMBL13351657 | 0.82 | PARP10 (0.46) | PARP10PARP4PARP1CA2PARP2 | |
| SCHEMBL18291832 | 0.81 | MAPK1 (0.45) | ALDH1A1KMT2AMAPTCYP2C19TDP1 | |
| SCHEMBL15956227 | 0.81 | TP53 (0.52) | CA2CA1TSHRALDH1A1CYP3A4 | |
| SCHEMBL22712558 | 0.79 | LMNA (0.46) | ALDH1A1CYP2C19BLMHSD17B10NOS1 | |
| SCHEMBL5297495 | 0.77 | PARP10 (0.45) | PARP10PARP4PARP1CA2PARP2 | |
| SCHEMBL12973676 | 0.76 | HSD17B1 (0.53) | KMT2AMAPTL3MBTL1LMNA | |
| SCHEMBL15956007 | 0.76 | CA1 (0.53) | CA2CA1TSHRALDH1A1KMT2A | |
| SCHEMBL9178767 | 0.75 | PARP10 (0.50) | PARP10PARP4PARP1CA2PARP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440528-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-10-08 | — | — | EP | disclosed |
| CN-102803216-A | Heterocyclic antiviral compounds | HOFFMANN LA ROCHE | 2012-11-28 | — | — | CN | disclosed |
| EP-2440528-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142656-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |