Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | BCHE | P06276 | 2/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CRHBP | P24387 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL31711441 | 0.91 | KDM4E (0.60) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8879501 | 0.90 | BCHE (0.78) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13330463 | 0.88 | ALDH1A1 (0.63) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29875218 | 0.86 | ALDH1A1 (0.58) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL680393 | 0.86 | ALDH1A1 (0.58) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13900488 | 0.86 | KDM4E (0.56) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21225615 | 0.86 | KDM4E (0.56) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3965713 | 0.85 | ALDH1A1 (0.60) | CYP3A4CYP2D6ALDH1A1BCHEHTR2A | |
| SCHEMBL18901363 | 0.85 | ALDH1A1 (0.56) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4886662 | 0.84 | KMT2A (0.55) | KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | disclosed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | disclosed |
| EP-0696593-A2 | Inhibitors of farnesyl protein transferase | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-02-14 | — | — | EP | disclosed |