Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9516875 | 0.79 | CYP2D6 (0.44) | ALDH1A1PKMCYP2D6NPC1RAB9A | |
| SCHEMBL9515621 | 0.75 | CYP2D6 (0.51) | ALDH1A1PKMCYP2D6NPC1RAB9A | |
| SCHEMBL11092367 | 0.72 | SIGMAR1 (0.61) | ALDH1A1CYP2D6SIGMAR1ACHEHTR1A | |
| SCHEMBL10462764 | 0.67 | SIGMAR1 (0.35) | SIGMAR1HTR1A | |
| SCHEMBL17958997 | 0.66 | HDAC1 (0.61) | ALDH1A1PKMACHEBCHEHDAC1 | |
| Fumaric Acid SCHEMBL9517664 | 0.64 | HRH2 (0.53) | ALDH1A1CYP2D6SMN1; SMN2L3MBTL1DRD2 | |
| Maleic Acid SCHEMBL9517655 | 0.64 | HRH2 (0.53) | ALDH1A1CYP2D6SMN1; SMN2L3MBTL1DRD2 | |
| SCHEMBL17959000 | 0.64 | HDAC1 (0.61) | ALDH1A1PKMACHEHDAC1HDAC6 | |
| SCHEMBL11102234 | 0.63 | SIGMAR1 (0.55) | SIGMAR1DRD2DRD4HTR1AHDAC1 | |
| SCHEMBL6436620 | 0.62 | CYP2D6 (0.51) | CYP2D6SIGMAR1DRD4HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5106839-A | DIBENZODIOXAZECINE AND DIBENZODIOXAAZACYCLOUNDECINE DERIVATIVES | AKZO N.V. (NL) | 1992-04-21 | — | — | US | disclosed |
| EP-0423870-A1 | Dibenzodioxazecine and dibenzodioxaazacycloundecine derivatives | Akzo Nobel N.V. (NL) | 1991-04-24 | — | — | EP | disclosed |