Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10863467 | 0.91 | TSHR (0.55) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL8359408 | 0.89 | TSHR (0.59) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL7219982 | 0.87 | ALDH1A1 (0.58) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Diethyl Phthalate SCHEMBL30147367 | 0.87 | TSHR (0.60) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Diethyl Phthalate SCHEMBL8873370 | 0.87 | TSHR (0.60) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL7159902 | 0.86 | TSHR (0.56) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL31152614 | 0.85 | TSHR (0.60) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL383322 | 0.85 | ALDH1A1 (0.57) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL11511191 | 0.85 | ALDH1A1 (0.57) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL31152621 | 0.84 | ALDH1A1 (0.61) | TSHRTDP1L3MBTL1CYP3A4MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109310601-B | Fragrance material | 高砂香料工业株式会社 | 2022-05-24 | — | — | CN | disclosed |