Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | TYMP | P19971 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CCR10 | P46092 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1614716 | 1.00 | KMT2A (0.47) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL8897393 | 1.00 | KMT2A (0.47) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL6960235 | 0.89 | TYMP (0.41) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL11390072 | 0.76 | CA12 (0.64) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL15597325 | 0.73 | TYMP (0.56) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL29579255 | 0.73 | CA12 (0.53) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL16752479 | 0.73 | CA12 (0.53) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL8530813 | 0.73 | LMNA (0.59) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL9272320 | 0.73 | KMT2A (0.54) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL10842757 | 0.72 | KMT2A (0.41) | KMT2ACA12CA1CA2CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5342959-A | Process for preparing chiral [[(2-bromoethyl)-amino]methyl]-2-nitro-1H-imidazol-1-ethanol and related compounds | WARNER-LAMBERT COMPANY (US) | 1994-08-30 | — | — | US | claimed |
| WO-1994015922-A1 | NOVEL PROCESS FOR PREPARING CHIRAL [[(2-BROMOETHYL)AMINO]METHYL]-2-NITRO-1H-IMIDAZOL-1-ETHANOL AND RELATED COMPOUNDS | WARNER LAMBERT COMPANY (US) | 1994-07-21 | — | — | WO | claimed |
| US-5659048-A | CHEMOSENSITIZER, RADIOSENSITIZER ADMINISTERING TO PATIENTS WHOM ARE SENSITIVE TO RADIATION OR CHEMOTHERAPY | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-08-19 | — | — | US | disclosed |
| US-5652255-A | ADMINISTERING NITROIMIDAZOLE DERIVATIVE NITRIC OXIDE SYNTHASE INHIBITOR; ANTITUMOR AGENTS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-07-29 | — | — | US | disclosed |
| US-5543527-A | ANTITUMOR AGENTS | BRITISH TECHNOLOYG GROUP LIMITED (GB) | 1996-08-06 | — | — | US | disclosed |
| US-5481000-A | RADIOSENSITIZERS OR CHEMOSENSITIZERS; PATENT CLAIMS CHIRAL 3-/2-HYDROXY-3-/2-NITROIMIDAZOL-1-YL/PROPYL/-2-OXAZOLIDINONE, HAVING /S/ CONFIGURATION AT OH CARBON AND FREE OF /R/ CONFIGURATION | WARNER-LAMBERT COMPANY (US) | 1996-01-02 | — | — | US | disclosed |
| US-5342959-A | Process for preparing chiral [[(2-bromoethyl)-amino]methyl]-2-nitro-1H-imidazol-1-ethanol and related compounds | WARNER-LAMBERT COMPANY (US) | 1994-08-30 | — | — | US | disclosed |