Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | RAB9A | P51151 | 7/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | WEE1 | P30291 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16986338 | 0.86 | NPC1 (0.46) | ADRB2NPC1RAB9ATAAR1PKM | |
| SCHEMBL16287646 | 0.86 | NPC1 (0.45) | ADRB2NPC1RAB9ATAAR1PKM | |
| SCHEMBL16986357 | 0.84 | NPC1 (0.49) | ADRB2NPC1RAB9ATAAR1PKM | |
| SCHEMBL16986354 | 0.80 | WEE1 (0.41) | ADRB2NPC1RAB9ATAAR1PKM | |
| SCHEMBL16995179 | 0.78 | WEE1 (0.69) | WEE1MAPK14 | |
| SCHEMBL255619 | 0.77 | ADRB2 (0.49) | ADRB2NPC1RAB9ATAAR1PKM | |
| Ethane SCHEMBL5793409 | 0.71 | WEE1 (0.54) | WEE1MAPK14 | |
| SCHEMBL21500669 | 0.71 | NPC1 (0.60) | ADRB2NPC1RAB9ATAAR1PKM | |
| SCHEMBL29895955 | 0.71 | NPC1 (0.60) | ADRB2NPC1RAB9ATAAR1PKM | |
| SCHEMBL16986321 | 0.70 | WEE1 (0.55) | ADRB2WEE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015118110-A1 | PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) | 2015-08-13 | — | — | WO | claimed |
| EP-2905024-A1 | Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae | Institut Quimic De Sarriá Cets, Fundació Privada (ES) | 2015-08-12 | — | — | EP | claimed |
| WO-2015118110-A1 | PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) | 2015-08-13 | — | — | WO | disclosed |
| WO-2015118110-A1 | PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) | 2015-08-13 | — | — | WO | disclosed |
| EP-2905024-A1 | Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae | Institut Quimic De Sarriá Cets, Fundació Privada (ES) | 2015-08-12 | — | — | EP | disclosed |
| EP-2905024-A1 | Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae | Institut Quimic De Sarriá Cets, Fundació Privada (ES) | 2015-08-12 | — | — | EP | disclosed |