Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7395683 | 0.85 | KMT2A (0.39) | ALDH1A1CYP2C19EGFRERBB2MEN1 | |
| SCHEMBL13461892 | 0.74 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL8707913 | 0.73 | — | — | |
| SCHEMBL1169954 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL12534326 | 0.69 | SLC6A3 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL7381563 | 0.68 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL14508493 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL9820117 | 0.67 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL6811876 | 0.66 | KDM4E (0.36) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL16591747 | 0.65 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000073312-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |