Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | TOP1 | P11387 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133411 | 0.86 | DHODH (0.46) | TOP1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL234452 | 0.85 | ACHE (0.47) | TOP1RAB9AKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL4901955 | 0.83 | CYP1A1 (0.41) | ADORA2ANPC1RAB9AKDM4ETNKS | |
| SCHEMBL4912670 | 0.83 | ALDH1A1 (0.45) | ADORA2ANPC1RAB9AKDM4ETNKS | |
| SCHEMBL4907021 | 0.83 | NPC1 (0.53) | ADORA2ANPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL5757636 | 0.82 | ADORA2A (0.46) | ADORA2AKDM4ESMN1; SMN2ACP1KMT2A | |
| SCHEMBL4875167 | 0.81 | MAPT (0.46) | NPC1RAB9AKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL8087264 | 0.81 | CYP2C9 (0.53) | MAPK10MAPK14NPC1RAB9AKDM4E | |
| SCHEMBL17941210 | 0.79 | MPO (0.37) | NPC1RAB9AKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL4909955 | 0.79 | KDM4E (0.58) | ADORA2ANPC1RAB9AKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108329297-A | Fluorobenzene quinoline substitution carbinol derivatives with anti-tumor activity and its synthetic method and application | 河南师范大学 | 2018-07-27 | — | — | CN | disclosed |
| EP-1664023-A1 | SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005021533-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2005-03-10 | — | — | WO | disclosed |