Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL467130 | 0.89 | DHFR (0.39) | CYP3A4ALDH1A1XDHMAPTCYP1A2 | |
| SCHEMBL10599281 | 0.84 | CYP3A4 (0.48) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL11132266 | 0.81 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL9843625 | 0.80 | CYP3A4 (0.46) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL466874 | 0.79 | DHFR (0.40) | CYP3A4ALDH1A1XDHMAPTCYP1A2 | |
| SCHEMBL2162708 | 0.78 | XDH (0.39) | CYP3A4ALDH1A1TSHRXDHMAPT | |
| SCHEMBL467179 | 0.77 | GABRA1 (0.35) | CYP3A4ALDH1A1XDHMAPTCYP1A2 | |
| SCHEMBL9288771 | 0.76 | CYP3A4 (0.38) | CYP3A4ALDH1A1DHFRGABRA1GABRB2 | |
| SCHEMBL9281677 | 0.76 | SHBG (0.39) | CYP3A4ALDH1A1TSHRTDP1CYP1A2 | |
| SCHEMBL6140280 | 0.76 | MAPT (0.45) | CYP3A4ALDH1A1TSHRXDHMAPT |
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-0105146-A1 | Process for preparation of diamines or mixtures of diamines | BAYER AG (DE) | 1984-04-11 | — | — | EP | disclosed |