Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12763781 | 0.76 | CYP1A2 (0.61) | CYP1A2TSHRCA1CA2CA4 | |
| SCHEMBL6698873 | 0.74 | CYP1A2 (0.59) | CYP1A2TSHRCA1CA2CA4 | |
| SCHEMBL12571300 | 0.74 | TSHR (0.59) | CYP1A2TSHRCA1CA2CA4 | |
| SCHEMBL7539726 | 0.73 | TSHR (0.57) | CYP1A2TSHRCA1CA2CA4 | |
| SCHEMBL10089552 | 0.72 | — | — | |
| SCHEMBL18868903 | 0.67 | — | — | |
| SCHEMBL19997205 | 0.66 | CYP1A2 (0.48) | CYP1A2TSHRCA1CA2CA4 | |
| SCHEMBL10467309 | 0.64 | — | — | |
| SCHEMBL6837389 | 0.64 | — | — | |
| SCHEMBL11623839 | 0.61 | TAAR1 (0.60) | CYP1A2TSHRALDH1A1HPGDHSD17B10 |
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-114177227-A | Composition, preparation method and application thereof, and medicine, food, health product and medicine box containing composition | 西安碑林药业股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| US-20080226601-A1 | Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods | UNIVERSITY OF ROCHESTER (US) | 2008-09-18 | — | — | US | disclosed |