Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MYC | P01106 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156698 | 0.90 | NR4A2 (0.49) | CYP3A4CYP2C9KMT2APOLBMYC | |
| SCHEMBL29425529 | 0.88 | AKR1C3 (0.53) | CYP3A4CYP2C9KMT2APOLBMYC | |
| SCHEMBL27840686 | 0.88 | AKR1C3 (0.53) | CYP3A4CYP2C9KMT2APOLBMYC | |
| Phthalic Acid SCHEMBL10989143 | 0.88 | CYP3A4 (0.65) | CYP3A4CYP2C9KMT2APOLBMYC | |
| SCHEMBL4830387 | 0.86 | ALDH1A1 (0.53) | CYP3A4CYP2C9KMT2APOLBMYC | |
| SCHEMBL31542996 | 0.84 | TSHR (0.64) | CYP3A4CYP2C9KMT2APOLBMYC | |
| SCHEMBL80110 | 0.84 | ALDH1A1 (0.63) | CYP3A4CYP2C9KMT2APOLBMYC | |
| SCHEMBL40534 | 0.84 | ALDH1A1 (0.64) | KMT2APOLBMYCALDH1A1HSD17B10 | |
| Dimethyl Phthalate SCHEMBL9436120 | 0.84 | ALDH1A1 (0.64) | KMT2APOLBMYCALDH1A1HSD17B10 | |
| SCHEMBL31440979 | 0.84 | ALDH1A1 (0.64) | KMT2APOLBMYCALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117116354-A | Screening method and application of pathogenic bacteria in milk powder based on combination of metabolic markers and machine learning | 江苏大学 | 2023-11-24 | — | — | CN | disclosed |
| CN-114555327-A | Melt-extrusion type polarizing film | 曹德载 | 2022-05-27 | — | — | CN | disclosed |