Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.35 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 3/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL27899 | 0.98 | ABCG2 (0.39) | ABCG2CYP3A4TDP1TXNRD1TXNRD3 | |
| SCHEMBL29352284 | 0.98 | ABCG2 (0.39) | ABCG2CYP3A4TDP1TXNRD1TXNRD3 | |
| SCHEMBL2076685 | 0.98 | ABCG2 (0.39) | ABCG2CYP3A4TDP1TXNRD1TXNRD3 | |
| Acetic Acid SCHEMBL29761322 | 0.93 | NPC1 (0.35) | CYP3A4TDP1TXNRD1TXNRD3TXNRD2 | |
| SCHEMBL16449681 | 0.90 | NQO2 (0.34) | ABCG2CYP3A4TDP1TXNRD1TXNRD3 | |
| SCHEMBL17758851 | 0.87 | DRD1 (0.32) | ABCG2TXNRD1TXNRD3TXNRD2CYP1A2 | |
| SCHEMBL13695077 | 0.87 | AOC3 (0.37) | ABCG2TDP1TXNRD1TXNRD3TXNRD2 | |
| SCHEMBL29365010 | 0.85 | ITGB2 (0.39) | CYP3A4TDP1DRD1MAOBPKM | |
| SCHEMBL1203836 | 0.85 | ITGB2 (0.39) | CYP3A4TDP1DRD1MAOBPKM | |
| SCHEMBL5684662 | 0.83 | ABCG2 (0.38) | ABCG2CYP3A4TDP1TXNRD1TXNRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0945457-B1 | Ruthenium-phosphine complex and method for producing the same | TAKASAGO PERFUMERY CO LTD (JP) | 2004-08-11 | — | — | EP | disclosed |
| EP-0945457-A2 | Ruthenium-phosphine complex and method for producing the same | Takasago International Corporation (JP) | 1999-09-29 | — | — | EP | disclosed |