Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658772 | 0.77 | TDP1 (0.58) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL28498295 | 0.77 | TSHR (0.49) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL5416139 | 0.76 | CYP1A2 (0.68) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL4883831 | 0.74 | TDP1 (0.62) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL29435277 | 0.74 | TDP1 (0.62) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL1935421 | 0.73 | TSHR (0.56) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL4887815 | 0.73 | ESR1 (0.72) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL28947786 | 0.73 | CYP1A2 (0.64) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL28252831 | 0.73 | TSHR (0.56) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL28953953 | 0.72 | TSHR (0.55) | ESR1POLBESR2CTDSP1TDP1 |
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-0584204-A1 | MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1994-03-02 | — | — | EP | claimed |
| WO-1992020747-A1 | MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1992-11-26 | — | — | WO | claimed |