Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11596500 | 0.89 | PARP1 (0.68) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL29792766 | 0.81 | PARP1 (1.00) | PARP1CYP1A2NPC1RAB9A | |
| SCHEMBL16695791 | 0.81 | PARP1 (1.00) | PARP1CYP1A2NPC1RAB9A | |
| SCHEMBL31052736 | 0.78 | ADORA3 (0.50) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL11626732 | 0.74 | FEN1 (0.49) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL11597540 | 0.73 | PARP1 (0.58) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL11596922 | 0.73 | PARP1 (0.58) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL16695675 | 0.72 | PARP1 (0.64) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL16695720 | 0.71 | PARP1 (0.63) | PARP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL16695731 | 0.71 | PARP1 (0.63) | PARP1CYP1A2KDM4EALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708332-B2 | Respiratory syncytial virus inhibitors | MEDIVIR AB (SE) | 2017-07-18 | — | — | US | disclosed |
| US-9708332-B2 | Respiratory syncytial virus inhibitors | MEDIVIR AB (SE) | 2017-07-18 | — | — | US | disclosed |
| WO-2015065338-A1 | QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS | MEDIVIR AB (SE) | 2015-05-07 | — | — | WO | disclosed |