Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | RGS12 | O14924 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 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 | |
|---|---|---|---|---|
| SCHEMBL14463522 | 0.75 | PARP1 (0.47) | PARP1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL14463494 | 0.68 | CASP1 (0.61) | PARP1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL28257878 | 0.67 | KMT2A (0.67) | PARP1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL29111626 | 0.66 | MEN1 (0.47) | PARP1MEN1KMT2AMAPTPOLB | |
| SCHEMBL30991803 | 0.65 | MAPT (0.48) | MAPTCYP3A4APEX1RECQLBLM | |
| SCHEMBL768394 | 0.65 | MAPT (0.48) | MAPTCYP3A4APEX1RECQLBLM | |
| SCHEMBL5746359 | 0.65 | MEN1 (0.65) | PARP1MEN1KMT2AMAPTNPSR1 | |
| Phthalimide SCHEMBL4702746 | 0.65 | GSK3B (0.54) | PARP1POLBCYP1A2CASP7SMN1; SMN2 | |
| SCHEMBL14524949 | 0.65 | CASP7 (0.50) | PARP1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL11594529 | 0.65 | HKDC1 (0.63) | PARP1MEN1KMT2AMAPTNPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177423-B1 | N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS | WARNER-LAMBERT COMPANY | 2001-01-23 | — | — | US | disclosed |