Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA6 | P23280 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ADH1B | P00325 | 2/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH1A | P07327 | 2/20 | 0.35 |
| ▸ | ADH7 | P40394 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7628246 | 0.83 | TSHR (0.55) | TSHRCA12CA9ALDH1A1ADH1B | |
| SCHEMBL10937085 | 0.81 | TDP1 (0.59) | TDP1TSHRCYP2C9CYP2C19CA12 | |
| SCHEMBL6248722 | 0.80 | TDP1 (0.57) | TDP1TSHRCYP2C9CYP2C19CA12 | |
| SCHEMBL3453037 | 0.79 | CYP2C19 (0.54) | TDP1TSHRCYP2C9CYP2C19CA12 | |
| SCHEMBL1087132 | 0.79 | TSHR (0.55) | TDP1TSHRCYP2C19CA12CA9 | |
| SCHEMBL11146496 | 0.79 | TSHR (0.48) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL29957351 | 0.78 | TSHR (0.44) | TSHRCA12CA9ALDH1A1ADH1B | |
| Butylamine SCHEMBL27550576 | 0.77 | TDP1 (0.48) | TDP1TSHRCYP2C9CYP2C19CA12 | |
| SCHEMBL11749668 | 0.77 | TSHR (0.52) | TDP1TSHRCYP2C19CA12CA9 | |
| SCHEMBL17356135 | 0.77 | TSHR (0.52) | TDP1TSHRCYP2C19CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121446-A1 | COPOLYMER WITH HYDROLYTIC RELEASE OF CANCEROSTATIC AGENT CYTARABINE, METHOD OF ITS PREPARATION AND USE THEREOF | USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) | 2021-06-24 | — | — | WO | disclosed |