Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.57 |
| ▸ | HPGDS | O60760 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28009628 | 0.98 | EGFR (0.56) | EGFRHPGDSNPC1RAB9ACASP3 | |
| Hydrochloric Acid SCHEMBL28130485 | 0.84 | EGFR (0.56) | EGFRNPC1RAB9ACASP3SENP7 | |
| SCHEMBL12361591 | 0.80 | EGFR (0.59) | EGFRHPGDSNPC1RAB9ACASP3 | |
| SCHEMBL1633917 | 0.79 | ALDH1A1 (0.59) | EGFRHPGDSNPC1RAB9ACASP3 | |
| SCHEMBL30979897 | 0.79 | EGFR (0.57) | EGFRHPGDSNPC1RAB9ACASP3 | |
| SCHEMBL28282206 | 0.79 | EGFR (0.57) | EGFRHPGDSNPC1RAB9ACASP3 | |
| SCHEMBL12764703 | 0.79 | EGFR (0.57) | EGFRHPGDSNPC1RAB9ACASP3 | |
| SCHEMBL1632721 | 0.79 | EGFR (0.57) | EGFRHPGDSNPC1RAB9ACASP3 | |
| Hydrochloric Acid SCHEMBL28048118 | 0.77 | EGFR (0.56) | EGFRHPGDSNPC1RAB9ACASP3 | |
| Hydrochloric Acid SCHEMBL28061626 | 0.77 | EGFR (0.56) | EGFRHPGDSNPC1RAB9ACASP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109999039-A | Quinazoline-THF- the amine of halogenation as PDE1 inhibitor | H.隆德贝克有限公司 | 2019-07-12 | — | — | CN | claimed |
| CN-106132953-B | Halogenated quinazolin-THF-amines as PDE1 inhibitors | H.隆德贝克有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109999039-A | Quinazoline-THF- the amine of halogenation as PDE1 inhibitor | H.隆德贝克有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-106132953-B | Halogenated quinazolin-THF-amines as PDE1 inhibitors | H.隆德贝克有限公司 | 2019-03-22 | — | — | CN | disclosed |