Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25376374 | 0.82 | HTT (0.48) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL765372 | 0.80 | ALDH1A1 (0.50) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL13262062 | 0.80 | ALDH1A1 (0.50) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL765383 | 0.80 | ALDH1A1 (0.50) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL10087171 | 0.78 | HTT (0.46) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL18539167 | 0.78 | HTT (0.46) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL14275210 | 0.78 | HTT (0.46) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL14561176 | 0.78 | HTT (0.46) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL6168684 | 0.78 | HTT (0.50) | HTTADRB2ALDH1A1KDM4ENPC1 | |
| SCHEMBL11631591 | 0.78 | HTT (0.46) | HTTADRB2ALDH1A1KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |