Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | BRS3 | P32247 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | ATP4A | P20648 | 3/20 | 0.33 |
| ▸ | ATP4B | P51164 | 3/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL470990 | 0.79 | NOS3 (0.38) | CYP2C9SMN1; SMN2KDM4EALDH1A1DRD1 | |
| SCHEMBL470989 | 0.77 | DRD1 (0.46) | CYP2C9SMN1; SMN2KDM4ECYP3A4CYP2C19 | |
| SCHEMBL470986 | 0.77 | DRD1 (0.45) | KDM4EALDH1A1DRD1POLB | |
| SCHEMBL470941 | 0.75 | SMN1; SMN2 (0.60) | CYP2C9SMN1; SMN2CYP1A2CYP3A4PTGS1 | |
| SCHEMBL10005546 | 0.75 | DRD1 (0.33) | MAPTSMN1; SMN2KDM4EALDH1A1DRD1 | |
| SCHEMBL471096 | 0.74 | BACE1 (0.40) | KCNH2DRD1 | |
| SCHEMBL470845 | 0.73 | ATP4A (0.36) | KMT2AATP4AATP4BMAPTALDH1A1 | |
| SCHEMBL470868 | 0.73 | NR4A1 (0.34) | KMT2AMAPTSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL13211386 | 0.72 | NR4A1 (0.54) | KMT2AMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL13183226 | 0.72 | MEN1 (0.40) | KMT2AKDM4EALDH1A1HSD17B10MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012033091-A1 | PROCESS FOR PREPARING BENZOIC ACID ESTERS | 第一三共株式会社 (JP) | 2012-03-15 | — | — | WO | disclosed |
| WO-2010101164-A1 | PYRIDINE DERIVATIVE | 第一三共株式会社 (JP) | 2010-09-10 | — | — | WO | disclosed |