Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL648738 | 0.80 | TDP1 (0.45) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL2973736 | 0.80 | TDP1 (0.45) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL28794384 | 0.79 | CYP3A4 (0.39) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL8762951 | 0.79 | CYP3A4 (0.39) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL6903087 | 0.79 | CYP3A4 (0.39) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL12256859 | 0.79 | CYP3A4 (0.39) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL1009627 | 0.79 | AKR1B1 (0.42) | TDP1CYP3A4TSHRALDH1A1GAA | |
| SCHEMBL16005323 | 0.78 | TDP1 (0.43) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL9518462 | 0.77 | AKR1B1 (0.41) | TDP1CYP3A4TSHRALDH1A1GAA | |
| SCHEMBL28768934 | 0.77 | AKR1B1 (0.41) | TDP1CYP3A4TSHRALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6441230-B1 | ACYLATION AGENT | HALDOR TOPSOE A/S (DK) | 2002-08-27 | — | — | US | disclosed |
| EP-1013340-A2 | Polymer supported triphos compound and use thereof as catalyst | Haldor Topsoe A/S (DK) | 2000-06-28 | — | — | EP | disclosed |