Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL17676835 | 0.86 | ALDH1A1 (0.44) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17676842 | 0.83 | ALDH1A1 (0.42) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17676838 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17667166 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17667165 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17676841 | 0.78 | ALDH1A1 (0.44) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL16276151 | 0.78 | ALDH1A1 (0.44) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17676848 | 0.75 | PTGES (0.47) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17667174 | 0.72 | TSHR (0.51) | ALDH1A1NPC1GLAHTTRAB9A | |
| SCHEMBL17667175 | 0.72 | TSHR (0.51) | ALDH1A1NPC1GLAHTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3006432-B1 | 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) | 2017-11-15 | — | — | EP | disclosed |
| EP-3006432-A1 | 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) | 2016-04-13 | — | — | EP | disclosed |