Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3280394 | 0.88 | TSHR (0.39) | CYP4F2CYP4A11ALDH1A1DGAT1TSHR | |
| SCHEMBL9736129 | 0.88 | TDP1 (0.36) | CYP4F2CYP4A11TDP1ALDH1A1DGAT1 | |
| SCHEMBL3278280 | 0.84 | CYP4F2 (0.43) | CYP4F2CYP4A11TDP1ALDH1A1DGAT1 | |
| SCHEMBL3286741 | 0.82 | CYP4F2 (0.46) | CYP4F2CYP4A11TDP1ALDH1A1DGAT1 | |
| SCHEMBL3281084 | 0.80 | TSHR (0.39) | CYP4F2CYP4A11ALDH1A1DGAT1TSHR | |
| SCHEMBL46134 | 0.80 | TSHR (0.48) | CYP4F2CYP4A11TDP1ALDH1A1TSHR | |
| SCHEMBL8433296 | 0.80 | TSHR (0.56) | CYP4F2CYP4A11ALDH1A1TSHRKDM4E | |
| SCHEMBL1245575 | 0.79 | CYP4F2 (0.46) | CYP4F2CYP4A11ALDH1A1DGAT1TSHR | |
| SCHEMBL1996919 | 0.78 | CYP4F2 (0.48) | CYP4F2CYP4A11TSHRPRSS1CTSG | |
| SCHEMBL7256363 | 0.78 | ACLY (0.48) | TDP1TSHRMAPT |
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-107207433-A | New organic compound, the near infrared fluorescent contrast agent containing the compound and the method for preparing nano particle contrast agent | 车医科学大学校产学协力团 | 2017-09-26 | — | — | CN | disclosed |