Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | CFD | P00746 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL9506611 | 0.83 | TBXA2R (0.42) | TBXA2RAKR1B1TDP1FFAR1CYP2C9 | |
| SCHEMBL1150895 | 0.80 | ACHE (0.50) | ACHETDP1FFAR1KDM4EMAPT | |
| SCHEMBL10587461 | 0.78 | CFD (0.42) | ACHEAKR1B1TDP1CYP2C9HPGD | |
| SCHEMBL1856180 | 0.73 | ACHE (0.39) | ACHEHPGDADRA1A | |
| SCHEMBL10586188 | 0.73 | CFD (0.37) | ACHEAKR1B1TDP1CYP2C9HPGD | |
| SCHEMBL7339330 | 0.72 | ACHE (0.38) | ACHEADRA1A | |
| SCHEMBL1151440 | 0.71 | ACHE (0.42) | ACHETDP1FFAR1KDM4EMAPT | |
| SCHEMBL18646926 | 0.71 | ACHE (0.45) | ACHE | |
| SCHEMBL7062905 | 0.71 | ACHE (0.42) | ACHEPTGS2ADRA1A | |
| SCHEMBL4202381 | 0.71 | DRD2 (0.53) | ACHECYP2C9CYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210108245-A1 | Enantioselective Biocatalytic Preparation of 4-Cyano-Substituted 1-Aminoindane and Ozanimod | PHARMAZELL GMBH (DE) | 2021-04-15 | — | — | US | disclosed |
| CN-111971398-A | Enantioselective biocatalytic preparation of 4-cyano-substituted 1-aminoindan and azanidod | 泽尔制药有限公司 | 2020-11-20 | — | — | CN | disclosed |
| EP-3553179-A1 | ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD | Universität Bielefeld (DE) | 2019-10-16 | — | — | EP | disclosed |