Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1007952 | 0.83 | GPR119 (0.42) | GPR119NR1H2NR1H3 | |
| SCHEMBL7714859 | 0.82 | ALDH1A1 (0.40) | MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL3831845 | 0.80 | CNR2 (0.53) | MEN1KMT2A | |
| SCHEMBL3827000 | 0.79 | CYP2A6 (0.45) | GPR119MEN1KMT2ANPC1RAB9A | |
| SCHEMBL3566610 | 0.78 | AKR1C3 (0.33) | AKR1C3AKR1C2GPR119TMEM97KAT6A | |
| SCHEMBL3825115 | 0.77 | NCEH1 (0.42) | GPR119 | |
| SCHEMBL3827550 | 0.76 | AKR1C3 (0.50) | AKR1C3AKR1C2MEN1KMT2APOLB | |
| SCHEMBL7715157 | 0.75 | CA12 (0.45) | NPC1RAB9A | |
| SCHEMBL3559616 | 0.74 | AKR1C3 (0.36) | AKR1C3AKR1C2GPR119ACACBTMEM97 | |
| SCHEMBL3554857 | 0.72 | KAT6A (0.55) | ACACBKAT6A |
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 |