Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL28091068 | 0.78 | MEN1 (0.41) | MEN1KMT2AKCNN4AKR1C3AKR1C2 | |
| SCHEMBL27902048 | 0.77 | KCNN4 (0.43) | MEN1KMT2AKCNN4AKR1C3AKR1C2 | |
| SCHEMBL6967423 | 0.77 | KCNN4 (0.43) | MEN1KMT2AKCNN4AKR1C3AKR1C2 | |
| SCHEMBL2449028 | 0.74 | SLC6A3 (0.34) | CHRM3SLC6A3CES2CES1 | |
| SCHEMBL828570 | 0.72 | ALDH1A1 (0.46) | MEN1KMT2AKCNN4AKR1C3AKR1C2 | |
| SCHEMBL3950869 | 0.72 | ESR1 (0.44) | KCNN4AKR1C3AKR1C2CHRM3PDE2A | |
| SCHEMBL2456934 | 0.72 | RAPGEF4 (0.33) | MEN1KMT2A | |
| SCHEMBL12238633 | 0.70 | PDE2A (0.41) | MEN1KMT2AAKR1C3AKR1C2PDE2A | |
| SCHEMBL7225768 | 0.70 | KCNN4 (0.42) | MEN1KMT2AKCNN4AKR1C3AKR1C2 | |
| SCHEMBL21229776 | 0.69 | KCNN4 (0.45) | MEN1KMT2AKCNN4AKR1C3AKR1C2 |
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-2367786-A1 | NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION | NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010058020-A1 | NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION | NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) | 2010-05-27 | — | — | WO | disclosed |