Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.49 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.49 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 4/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.47 |
| ▸ | INCENP | Q9NQS7 | 3/20 | 0.47 |
| ▸ | TTK | P33981 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9447446 | 0.98 | PARP1 (0.57) | PARP1TDP1RECQLKDM4EPTP4A3 | |
| SCHEMBL29519573 | 0.74 | PARP1 (1.00) | PARP1TDP1RECQLKDM4EAURKA | |
| SCHEMBL215327 | 0.74 | PARP1 (1.00) | PARP1TDP1RECQLKDM4EAURKA | |
| SCHEMBL21917249 | 0.74 | KDM4A (0.47) | PARP1TDP1RECQLKDM4EPTP4A3 | |
| SCHEMBL3704228 | 0.74 | PARP1 (0.72) | PARP1TDP1RECQLKDM4EAURKA | |
| SCHEMBL4217282 | 0.73 | PARP1 (0.61) | PARP1TDP1RECQLKDM4EALDH1A1 | |
| SCHEMBL1536513 | 0.73 | PARP1 (0.55) | PARP1TDP1RECQLKDM4EAURKA | |
| SCHEMBL151493 | 0.73 | PARP1 (0.59) | PARP1TDP1RECQLKDM4EMAPT | |
| SCHEMBL555325 | 0.73 | PARP1 (0.55) | PARP1TDP1RECQLKDM4EMAPT | |
| SCHEMBL18954023 | 0.73 | PARP1 (0.55) | PARP1TDP1RECQLKDM4EMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0355750-B1 | Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process | WARNER LAMBERT CO (US) | 1995-01-25 | — | — | EP | claimed |
| EP-0355750-A1 | Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process | WARNER-LAMBERT COMPANY (US) | 1990-02-28 | — | — | EP | claimed |
| US-5753674-A | ADMINISTERING ENZYME INHIBITORS AS ANTICANCER AGENTS | OCTAMER, INC. (US) | 1998-05-19 | — | — | US | disclosed |
| US-5652260-A | Adenosine diphosphoribose polymerase binding nitroso aromatic compound useful as retroviral inactivating agents, anti-retroviral agents and anti-tumor agents | OCTAMER, INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5516941-A | OXIDIZING 3-AMINOBENZAMIDE TO 3-NITROSOBENZAMIDE; VIRICIDES; ANTICARCINOGENIC AND ANTITUMOR AGENTS | OCTAMER, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5482975-A | Adenosine diphosphoribose polymerase binding nitroso aromatic compounds useful as retroviral inactivating agents, anti-retroviral agents and anti-tumor agents | OCTAMER, INC. (US) | 1996-01-09 | — | — | US | disclosed |
| US-5473074-A | Destabilize protein domains capable of binding zinc atoms | OCTAMER, INCORPORATED (US) | 1995-12-05 | — | — | US | disclosed |
| EP-0609211-A4 | ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-TUMOR AND ANTI-RETROVIRAL AGENTS. | OCTAMER INC (US) | 1995-02-01 | — | — | EP | disclosed |
| EP-0609211-A1 | ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-TUMOR AND ANTI-RETROVIRAL AGENTS | OCTAMER, INC. (US) | 1994-08-10 | — | — | EP | disclosed |
| WO-1993007868-A1 | ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-TUMOR AND ANTI-RETROVIRAL AGENTS | OCTAMER, INC. (US) | 1993-04-29 | — | — | WO | disclosed |