Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19994642 | 1.00 | RAB9A (0.42) | RAB9AMEN1KMT2ANPC1ATM | |
| SCHEMBL20015325 | 0.81 | GPR119 (0.60) | MEN1KMT2APKMKDM4EPOLB | |
| SCHEMBL19994546 | 0.80 | MAOB (0.54) | RAB9AMEN1KMT2ANPC1LMNA | |
| SCHEMBL27346267 | 0.80 | MAOB (0.54) | RAB9AMEN1KMT2ANPC1LMNA | |
| SCHEMBL27153178 | 0.80 | MAOB (0.54) | RAB9AMEN1KMT2ANPC1LMNA | |
| SCHEMBL19994571 | 0.74 | MAOA (0.56) | MEN1KMT2ANFE2L2 | |
| SCHEMBL19994572 | 0.74 | MAOA (0.56) | MEN1KMT2ANFE2L2 | |
| SCHEMBL4074303 | 0.73 | HSD11B1 (0.53) | — | |
| SCHEMBL20015279 | 0.72 | MAOB (0.67) | — | |
| SCHEMBL20015501 | 0.72 | NPC1 (0.50) | RAB9AMEN1KMT2ANPC1ATM |
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-3426634-A1 | DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | University of Ljubljana (SI) | 2019-01-16 | — | — | EP | disclosed |
| WO-2018055096-A1 | DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | UNIVERSITY OF LJUBLJANA (SI) | 2018-03-29 | — | — | WO | disclosed |