Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.52 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19436436 | 0.89 | CYP3A4 (0.52) | CYP3A4SMN1; SMN2PARP1GPR35VCAM1 | |
| SCHEMBL19437465 | 0.87 | LMNA (0.53) | CYP3A4SMN1; SMN2PARP1GPR35VCAM1 | |
| SCHEMBL4324556 | 0.85 | VCAM1 (0.63) | CYP3A4PARP1GPR35VCAM1TSHR | |
| SCHEMBL9064336 | 0.83 | CYP3A4 (0.59) | CYP3A4SMN1; SMN2PARP1GPR35TSHR | |
| SCHEMBL3146159 | 0.83 | CASP6 (0.60) | CYP3A4GPR35VCAM1TSHRALDH1A1 | |
| SCHEMBL5674133 | 0.83 | GPR35 (0.52) | CYP3A4PARP1GPR35VCAM1TSHR | |
| SCHEMBL3106666 | 0.83 | SMN1; SMN2 (0.59) | CYP3A4SMN1; SMN2PARP1VCAM1TSHR | |
| SCHEMBL20876430 | 0.83 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2PARP1GPR35VCAM1 | |
| SCHEMBL19436450 | 0.83 | MAPT (0.50) | CYP3A4SMN1; SMN2PARP1TSHRALDH1A1 | |
| SCHEMBL4056647 | 0.82 | SMN1; SMN2 (0.57) | CYP3A4SMN1; SMN2PARP1VCAM1TSHR |
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-1016405-A2 | Arylating medicaments | Radopath Pharmaceuticals International Limited (GB) | 2000-07-05 | — | — | EP | claimed |
| CN-1124012-A | Arylating medicaments | RADOPATH LTD (GB) | 1996-06-05 | — | — | CN | claimed |
| EP-0700287-A1 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1996-03-13 | — | — | EP | claimed |
| WO-1994027584-A2 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1994-12-08 | — | — | WO | claimed |
| EP-1109550-B1 | NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS | AUCKLAND UNISERVICES LTD (NZ) | 2004-11-24 | — | — | EP | disclosed |
| US-6517836-B1 | Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes | AUCKLAND UNISERVICES LIMITED (NZ) | 2003-02-11 | — | — | US | disclosed |
| EP-1016405-A2 | Arylating medicaments | Radopath Pharmaceuticals International Limited (GB) | 2000-07-05 | — | — | EP | disclosed |
| EP-0700287-A1 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027584-A2 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1994-12-08 | — | — | WO | disclosed |
| US-4152510-A | AROMATIC DIAMINE CHAIN EXTENDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-05-01 | — | — | US | disclosed |