Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.91 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.91 |
| ▸ | MAPT | P10636 | 3/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.91 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.91 |
| ▸ | BACE1 | P56817 | 7/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 3/20 | 0.61 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Phellopterin SCHEMBL2468854 | 0.95 | CYP1B1 (1.00) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL31315053 | 0.94 | CYP1B1 (0.88) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL20036257 | 0.85 | CYP1B1 (0.77) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL27015460 | 0.84 | CYP1B1 (0.72) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL22417763 | 0.84 | CYP1B1 (0.76) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| Isopimpinellin SCHEMBL498907 | 0.82 | CYP3A4 (1.00) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| Isopimpinellin SCHEMBL29568822 | 0.82 | CYP3A4 (1.00) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL16352046 | 0.80 | CYP1B1 (0.69) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL29740208 | 0.80 | CYP1B1 (0.69) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 | |
| SCHEMBL30175943 | 0.78 | KDM4E (0.64) | CYP1B1CYP1A1MAPTCYP1A2ABCB1 |
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-3868751-B1 | 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS | SENTINEL ONCOLOGY LTD (GB) | 2023-10-25 | — | — | EP | disclosed |
| CN-115671096-A | Application of 6-methoxy angelicin and structural analogue thereof | 西北工业大学 | 2023-02-03 | — | — | CN | disclosed |