Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 10/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13821887 | 0.86 | EPHX2 (0.51) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL7293938 | 0.85 | TACR1 (0.47) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL9667005 | 0.85 | TACR1 (0.47) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL10520299 | 0.84 | HTR2A (0.45) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL10520296 | 0.84 | HTR2A (0.45) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL10521460 | 0.84 | KMT2A (0.48) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL10521454 | 0.83 | KMT2A (0.47) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL10523023 | 0.83 | CTNNB1 (0.49) | KMT2ACTNNB1HTR2ACYP3A4KDM4E | |
| SCHEMBL6447313 | 0.82 | CTNNB1 (0.54) | KMT2ACTNNB1MEN1CYP1A2 | |
| SCHEMBL678803 | 0.81 | KMT2A (0.48) | KMT2ACTNNB1KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292800-A2 | Amino acid derivatives | MERCK PATENT GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |