Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.49 |
| ▸ | CRHBP | P24387 | 2/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL698135 | 0.78 | ALDH1A1 (0.47) | HPRT1CRHBPCRHR2ALDH1A1TDP1 | |
| SCHEMBL220835 | 0.75 | TSHR (0.46) | ALDH1A1TDP1LMNAHSD17B10MAPT | |
| SCHEMBL7274798 | 0.73 | TSHR (0.50) | ALDH1A1TDP1KMT2APOLBLMNA | |
| SCHEMBL3296222 | 0.73 | CRHBP (0.49) | HPRT1CRHBPCRHR2ALDH1A1TDP1 | |
| SCHEMBL27421480 | 0.72 | HPRT1 (0.37) | HPRT1CRHBPCRHR2ALDH1A1TDP1 | |
| SCHEMBL9050409 | 0.72 | TSHR (0.34) | ALDH1A1TDP1HSD17B10TSHRACHE | |
| SCHEMBL27186888 | 0.72 | CYP1A2 (0.36) | ALDH1A1TDP1HSD17B10TSHRACHE | |
| SCHEMBL6263483 | 0.72 | TSHR (0.42) | ALDH1A1TDP1KMT2AMAPK1LMNA | |
| SCHEMBL14635117 | 0.71 | ALDH1A1 (0.39) | HPRT1CRHBPCRHR2ALDH1A1KMT2A | |
| SCHEMBL261451 | 0.71 | TDP1 (0.45) | HPRT1ALDH1A1TDP1MAPK1LMNA |
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-1144381-A2 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-10-17 | — | — | EP | disclosed |
| EP-1133475-A1 | SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032577-A2 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-08 | — | — | WO | disclosed |
| WO-2000031039-A1 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-02 | — | — | WO | disclosed |