Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28924534 | 0.85 | ALDH1A1 (0.55) | CYP3A4TSHRRECQLALDH1A1ACHE | |
| SCHEMBL11316146 | 0.84 | ALDH1A1 (0.47) | CYP3A4TSHRRECQLALDH1A1ACHE | |
| SCHEMBL10111222 | 0.80 | CRHR1 (0.41) | ALDH1A1ALDH3A1ALDH1A3CRHR1 | |
| SCHEMBL11445973 | 0.78 | TYR (0.44) | CYP3A4TSHRALDH1A1DRD2DRD3 | |
| Methoxymethane SCHEMBL10630250 | 0.78 | CYP2D6 (0.43) | CYP3A4TSHRRECQLALDH1A1DRD2 | |
| SCHEMBL21185109 | 0.77 | CRHR1 (0.50) | CYP3A4ALDH3A1ALDH1A3MEN1KMT2A | |
| SCHEMBL11672356 | 0.74 | ACHE (0.46) | CYP3A4TSHRRECQLALDH1A1ACHE | |
| SCHEMBL28305611 | 0.74 | CYP3A4 (0.44) | CYP3A4TSHRRECQLALDH1A1ACHE | |
| SCHEMBL11307533 | 0.74 | CRHR1 (0.46) | ALDH1A1DRD2DRD3DRD4CRHR1 | |
| SCHEMBL8956467 | 0.73 | MCL1 (0.47) | CYP3A4TSHRRECQLALDH1A1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019142192-A1 | NEW METHIONINE METABOLIC PATHWAY INHIBITORS | GAVISH-GALILEE BIO APPLICATIONS LTD. (IL) | 2019-07-25 | — | — | WO | disclosed |