Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27754137 | 0.73 | HPRT1 (0.32) | ALDH1A1HPRT1TDP1HSD17B10 | |
| SCHEMBL27743928 | 0.67 | — | — | |
| SCHEMBL9086497 | 0.63 | GAA (0.35) | ALDH1A1HPRT1TDP1LMNACRHBP | |
| SCHEMBL27541124 | 0.60 | CFTR (0.33) | LMNA | |
| SCHEMBL3192408 | 0.59 | ALDH1A1 (0.51) | ALDH1A1TDP1HSD17B10LMNA | |
| Biphenyl SCHEMBL6919136 | 0.57 | ALDH1A1 (0.53) | ALDH1A1HPRT1TDP1HSD17B10LMNA | |
| Biphenyl SCHEMBL27821216 | 0.57 | CRHBP (0.56) | ALDH1A1HPRT1TDP1LMNACRHBP | |
| Biphenyl SCHEMBL27301305 | 0.56 | TSHR (0.55) | ALDH1A1HPRT1TDP1HSD17B10LMNA | |
| Toluene SCHEMBL28836329 | 0.55 | TSHR (0.61) | ALDH1A1HPRT1TDP1HSD17B10LMNA | |
| Toluene SCHEMBL574733 | 0.55 | TSHR (0.61) | ALDH1A1HPRT1TDP1HSD17B10LMNA |
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 |