Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4723773 | 0.79 | MAOA (0.48) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL11380274 | 0.78 | CYP2C19 (0.47) | CYP2C19SLC6A2SLC6A3KMT2A | |
| SCHEMBL2089794 | 0.77 | CA1 (0.50) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL9778992 | 0.75 | KDM1A (0.46) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL29950610 | 0.75 | KDM1A (0.46) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL8155961 | 0.74 | ESR2 (0.45) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL31165268 | 0.73 | MAPT (0.59) | KDM1AMAOAMAOBNPC1RAB9A | |
| SCHEMBL11384551 | 0.72 | KDM1A (0.46) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL19221186 | 0.71 | MAOA (0.48) | KDM1AMAOAMAOBCA12CA1 | |
| SCHEMBL9778655 | 0.70 | KDM4E (0.44) | KDM1AMAOAMAOBDRD2SLC6A2 |
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-4292246-A | ISOMERIZATION OF A 4,5-DIHYDRO-1,3-DIOXEPINE BY HEATING WITH CATALYTIC O-TOLUIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-29 | — | — | US | disclosed |
| EP-0013893-A1 | Process for the preparation of tetrahydrofuran-3-aldehydes | BAYER AG (DE) | 1980-08-06 | — | — | EP | disclosed |