Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL29021518 | 0.88 | CYP19A1 (0.36) | CYP19A1KDM4EGAASMN1; SMN2ALDH1A1 | |
| Toluene SCHEMBL29001023 | 0.85 | TSHR (0.38) | CYP19A1KDM4EGAASMN1; SMN2TSHR | |
| SCHEMBL2643959 | 0.84 | — | — | |
| Aniline SCHEMBL29068757 | 0.83 | TSHR (0.37) | CYP19A1KDM4EGAASMN1; SMN2TSHR | |
| Toluene SCHEMBL28293979 | 0.75 | HSD11B1 (0.39) | CYP19A1KDM4ETSHR | |
| Toluene SCHEMBL28042722 | 0.74 | KCNH2 (0.42) | CYP19A1TSHR | |
| Phenol SCHEMBL27650418 | 0.73 | CA12 (0.44) | CA12CA1CA2GLACA3 | |
| SCHEMBL2644425 | 0.72 | — | — | |
| Phenol SCHEMBL29128638 | 0.72 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| SCHEMBL5048432 | 0.71 | ESR1 (0.46) | CA2KDM4EESR1ALDH1A1 |
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-114907279-B | Synthesis method of N-oxybenzene propyl triazole | 金华职业技术学院 | 2023-11-10 | — | — | CN | disclosed |
| CN-115505912-B | Chromium-free passivating agent for copper alloy, preparation method and application thereof, and method for passivating copper alloy | 中国科学院兰州化学物理研究所 | 2023-10-27 | — | — | CN | disclosed |