Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL4962643 | 0.94 | PARP1 (0.60) | PARP1KDM4EKMT2AGAARAB9A | |
| Methyl Alcohol SCHEMBL27467514 | 0.94 | PARP1 (0.60) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL1259 | 0.94 | PARP1 (0.64) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL29351761 | 0.94 | PARP1 (0.64) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL4370629 | 0.94 | PARP1 (0.64) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL5484641 | 0.92 | PARP1 (0.62) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL11613703 | 0.92 | PARP1 (0.62) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL31245780 | 0.92 | PARP1 (0.62) | PARP1KDM4EKMT2AGAARAB9A | |
| Hydrochloric Acid SCHEMBL8503466 | 0.92 | PARP1 (0.62) | PARP1KDM4EKMT2AGAARAB9A | |
| SCHEMBL11105533 | 0.92 | PARP1 (0.62) | PARP1KDM4EKMT2AGAARAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745024-A4 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORP (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1745024-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110991-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2005-11-24 | — | — | WO | disclosed |