Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6047843 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1HPRT1PTGS2RAB9A | |
| SCHEMBL9300062 | 0.74 | TSHR (0.42) | ALDH1A1TDP1HSD17B10CYP3A4TSHR | |
| SCHEMBL7834701 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TDP1HPRT1PTGS2RAB9A | |
| SCHEMBL4371389 | 0.71 | ESR2 (0.41) | ALDH1A1PTGS2LMNAHSD17B10TSHR | |
| SCHEMBL9301089 | 0.71 | TDP1 (0.39) | ALDH1A1TDP1HSD17B10TSHRKMT2A | |
| SCHEMBL7820196 | 0.70 | HPRT1 (0.49) | ALDH1A1TDP1HPRT1PTGS2POLB | |
| SCHEMBL7827532 | 0.70 | HPRT1 (0.45) | ALDH1A1TDP1HPRT1PTGS2RAB9A | |
| SCHEMBL3297299 | 0.69 | ALDH1A1 (0.41) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL29236231 | 0.69 | ALDH1A1 (0.59) | ALDH1A1TDP1HPRT1PTGS2RAB9A | |
| SCHEMBL456233 | 0.68 | ESR2 (0.38) | ALDH1A1PTGS2HSD17B10MAPK1 |
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 |