Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.74 |
| ▸ | CNR2 | P34972 | 8/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.59 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.57 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14037741 | 0.89 | ALDH1A1 (0.82) | ALDH1A1KDM4ECNR2MAPTHPGD | |
| SCHEMBL19273225 | 0.89 | ALDH1A1 (0.82) | ALDH1A1KDM4ECNR2MAPTHPGD | |
| SCHEMBL6293620 | 0.89 | ALDH1A1 (0.82) | ALDH1A1KDM4ECNR2MAPTHPGD | |
| SCHEMBL15064420 | 0.84 | CNR2 (1.00) | CNR2UTS2RCNR1 | |
| SCHEMBL8156269 | 0.82 | ALDH1A1 (0.69) | ALDH1A1KDM4ECNR2MAPTHPGD | |
| SCHEMBL4914932 | 0.81 | GPR139 (0.61) | ALDH1A1MAPTHPGDGPR139MEN1 | |
| SCHEMBL9002961 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4ECNR2MAPTHPGD | |
| SCHEMBL19570381 | 0.79 | UTS2R (0.64) | ALDH1A1MAPTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6953151 | 0.79 | KMT2A (0.71) | CNR2UTS2RSLC6A9KMT2APSMB8 | |
| SCHEMBL7897298 | 0.79 | SMN1; SMN2 (0.69) | ALDH1A1MAPTHPGDHTTGPR139 |
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-6187582-B1 | REACTING RACEMIC AMINE AND ESTER IN PRESENCE OF LIPASE FROM CANDIDA ANTARCTICA AND DILUENT, SEPARATING MIXTURE OF (S)-AMINE, SEPARATING THE ACYLATED (R)-AMINE, THEN OPTIONALLY DEACYLATING THE (R)-AMINE BY TREATMENT WITH AN ACID OR BASE | BAYER AKTIENGESELLSCHAFT (DE) | 2001-02-13 | — | — | US | disclosed |