Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 1/20 | 0.38 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.38 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9586788 | 0.98 | CYP19A1 (0.42) | CYP19A1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL9586794 | 0.82 | NOTUM (0.44) | CYP19A1CYP11B2CYP11B1TSHRIDO1 | |
| Hydrochloric Acid SCHEMBL9588288 | 0.81 | NOTUM (0.43) | CYP19A1CYP11B2CYP11B1TSHRIDO1 | |
| SCHEMBL10685566 | 0.78 | TBXAS1 (0.56) | CYP19A1TBXAS1POLB | |
| SCHEMBL10685561 | 0.78 | TBXAS1 (0.56) | CYP19A1TBXAS1POLB | |
| SCHEMBL9783192 | 0.77 | CYP19A1 (0.37) | CYP19A1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL9783446 | 0.77 | CYP19A1 (0.37) | CYP19A1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL11383428 | 0.77 | CYP19A1 (0.42) | CYP19A1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL11383413 | 0.77 | CYP19A1 (0.42) | CYP19A1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL10463399 | 0.76 | TBXAS1 (0.57) | CYP19A1CYP11B2CYP11B1TBXAS1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115246848-A | Zero/negative thermal quenching near-infrared photoluminescence material and preparation method and application thereof | 常州大学 | 2022-10-28 | — | — | CN | disclosed |
| CN-114276286-A | Method for preparing N, N-disubstituted-alpha, beta-unsaturated enamine from arone and secondary nitrogen compound | 长沙资材科技有限公司 | 2022-04-05 | — | — | CN | disclosed |
| US-5216007-A | Fungicides | ROHM AND HAAS COMPANY (US) | 1993-06-01 | — | — | US | disclosed |
| EP-0076628-A2 | Novel substituted imidazoles and triazoles, fungicidal compositions containing them and the use of the novel compounds for combating fungi | ROHM AND HAAS COMPANY (US) | 1983-04-13 | — | — | EP | disclosed |