Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7168130 | 0.92 | KMT2A (0.38) | CXCR4HDAC1CYP3A4KMT2AALDH1A1 | |
| SCHEMBL7166169 | 0.90 | CXCR4 (0.43) | CXCR4ALDH1A1 | |
| SCHEMBL7165958 | 0.90 | AGTR2 (0.41) | DPP4CYP3A4KMT2AACEMEN1 | |
| SCHEMBL7170826 | 0.88 | CXCR4 (0.40) | CXCR4CYP3A4KMT2AKDM4EACE | |
| SCHEMBL7168153 | 0.87 | GRIN2B (0.46) | CXCR4CYP3A4KDM4EALDH1A1 | |
| SCHEMBL7162414 | 0.85 | DPP4 (0.41) | DPP4KMT2AKDM4EALDH1A1MEN1 | |
| SCHEMBL6484834 | 0.84 | TACR1 (0.41) | DPP4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6326567 | 0.79 | NR1H2 (0.40) | CYP3A4KDM4EALDH1A1 | |
| SCHEMBL7164243 | 0.78 | PLG (0.35) | CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL7162429 | 0.78 | TSHR (0.35) | CYP3A4KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003082856-A1 | ISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-10-09 | — | — | WO | disclosed |