Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 5/20 | 0.37 |
| ▸ | HTR2B | P41595 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NAT1 | P18440 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL20015685 | 0.93 | IKBKB (0.48) | HSD11B1IKBKBPIM1PIM2HTR2C | |
| Hydrochloric Acid SCHEMBL4891394 | 0.91 | IKBKB (0.47) | HSD11B1IKBKBPIM1PIM2HTR2C | |
| SCHEMBL14731172 | 0.82 | MAOA (0.39) | PIM1PIM2HTR2CHTR2BMEN1 | |
| Hydrochloric Acid SCHEMBL14720845 | 0.81 | HTR2C (0.39) | PIM1PIM2HTR2CHTR2BMEN1 | |
| Hydrochloric Acid SCHEMBL14720846 | 0.81 | HTR2C (0.39) | PIM1PIM2HTR2CHTR2BMEN1 | |
| SCHEMBL14337858 | 0.81 | HSD11B1 (0.52) | HSD11B1IKBKBPIM1PIM2NPC1 | |
| SCHEMBL27750500 | 0.78 | HSD11B1 (0.56) | HSD11B1IKBKBPIM1PIM2NPC1 | |
| SCHEMBL5754709 | 0.73 | HSD11B1 (0.46) | HSD11B1IKBKBPIM1PIM2NPC1 | |
| SCHEMBL14730978 | 0.73 | MAOA (0.43) | PIM1PIM2HTR2CHTR2BMEN1 | |
| SCHEMBL16322736 | 0.73 | HTR2C (0.48) | PIM1PIM2HTR2CHTR2BHRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |