Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.47 |
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8475501 | 0.85 | MEN1 (0.55) | CES2CES1PTGS2MEN1KMT2A | |
| SCHEMBL818007 | 0.84 | CES2 (0.56) | CES2CES1ESR1PTGS2KMT2A | |
| SCHEMBL628981 | 0.83 | ATM (0.45) | CES2CES1ESR1AKR1B1MEN1 | |
| SCHEMBL8672567 | 0.82 | CES1 (0.52) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL814927 | 0.80 | CES2 (0.52) | CES2CES1ESR1PTGS2KMT2A | |
| SCHEMBL155800 | 0.79 | TDP1 (0.55) | CES2CES1PTGS2KMT2AHPGD | |
| SCHEMBL5390647 | 0.78 | CES2 (0.50) | CES2CES1ESR1PTGS2KMT2A | |
| SCHEMBL817443 | 0.77 | PTGS2 (0.57) | CES2CES1ESR1PTGS2L3MBTL1 | |
| SCHEMBL8579814 | 0.76 | CES2 (0.46) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL1358269 | 0.76 | CES2 (0.46) | CES2CES1AKR1B1MEN1KMT2A |
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-5530128-A | ENZYME INHIBITOR AS ANTITUMOR AGENT | CELLTECH THERAPEUTICS LIMITED (GB) | 1996-06-25 | — | — | US | disclosed |
| US-5073014-A | Stretched film of polyacetylene in matrix of pure polyvinyl alcohol | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-17 | — | — | US | disclosed |