Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3851122 | 0.87 | MEN1 (0.37) | MEN1KMT2AALDH1A1GABRB1GABRB2 | |
| SCHEMBL3566610 | 0.83 | AKR1C3 (0.33) | — | |
| SCHEMBL3559266 | 0.83 | NCEH1 (0.35) | — | |
| SCHEMBL3564219 | 0.80 | NCEH1 (0.36) | — | |
| SCHEMBL3559616 | 0.80 | AKR1C3 (0.36) | — | |
| SCHEMBL3827000 | 0.77 | CYP2A6 (0.45) | CYP2A6CYP17A1CYP3A4MEN1NPC1 | |
| SCHEMBL3557776 | 0.76 | CNR2 (0.46) | MEN1KMT2AMAPT | |
| SCHEMBL16682552 | 0.71 | RAB9A (0.43) | CYP2A6CYP17A1CYP3A4MEN1NPC1 | |
| SCHEMBL7447861 | 0.65 | MEN1 (0.40) | MEN1KMT2AALDH1A1GABRB1GABRB2 | |
| SCHEMBL16682553 | 0.65 | MAPT (0.39) | CYP2A6CYP17A1CYP3A4MEN1NPC1 |
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-1809603-A4 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LTD (NZ) | 2009-09-02 | — | — | EP | disclosed |
| EP-1809603-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006043839-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2006-04-27 | — | — | WO | disclosed |