Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | HMGCR | P04035 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8130457 | 0.84 | CYP1A1 (0.51) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL8122560 | 0.82 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL8124063 | 0.82 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL8135925 | 0.82 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL8132640 | 0.80 | HMGCR (0.53) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL7103558 | 0.80 | CYP1A2 (0.63) | CYP1A1CYP1B1CYP1A2CYP3A4NFE2L2 | |
| SCHEMBL8132635 | 0.80 | HMGCR (0.53) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL8124726 | 0.80 | CYP1A1 (0.48) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL8122816 | 0.79 | CYP1A1 (0.47) | CYP1A1CYP1B1CYP1A2HMGCRCYP3A4 | |
| SCHEMBL393816 | 0.76 | ALDH1A1 (0.61) | EGFRERBB2ALDH1A1KDM4EIMPDH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0645382-B1 | COUMARIN DERIVATIVE AND USE THEREOF | MORINAGA MILK INDUSTRY CO LTD (JP) | 2000-07-12 | — | — | EP | disclosed |
| EP-0645382-A1 | COUMARIN DERIVATIVE AND USE THEREOF | MORINAGA MILK INDUSTRY CO., LTD. (JP) | 1995-03-29 | — | — | EP | disclosed |