Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | FTO | Q9C0B1 | 3/20 | 0.68 |
| ▸ | COMT | P21964 | 2/20 | 0.68 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.68 |
| ▸ | EGFR | P00533 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4609366 | 1.00 | MEN1 (0.68) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL16690921 | 0.93 | MEN1 (0.59) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL16690919 | 0.92 | MEN1 (0.58) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL1405285 | 0.90 | MEN1 (0.77) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL14573318 | 0.90 | MEN1 (0.77) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL1405287 | 0.90 | MEN1 (0.77) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL16160387 | 0.90 | FTO (0.77) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL5329066 | 0.87 | FTO (0.62) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL5329070 | 0.87 | FTO (0.62) | MEN1KMT2AFTOCOMTABCC3 | |
| SCHEMBL12950318 | 0.86 | MEN1 (0.64) | MEN1KMT2AFTOCOMTABCC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1978014-A1 | Process for the preparation of entacapone and intermediates thereof | ESTEVE QUIMICA, S.A. (ES) | 2008-10-08 | — | — | EP | disclosed |