Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 4/20 | 0.54 |
| ▸ | SCD | O00767 | 8/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL16085396 | 0.88 | NPC1 (0.46) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085476 | 0.83 | ABL1 (0.47) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085409 | 0.83 | NPC1 (0.45) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL10299109 | 0.79 | MEN1 (0.59) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085595 | 0.78 | ABL1 (0.50) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085414 | 0.78 | SCD (0.51) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085497 | 0.76 | MAPT (0.61) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085589 | 0.75 | ABL1 (0.47) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL16085461 | 0.75 | MAPT (0.65) | RAB9AMEN1MAPTKMT2AABL1 | |
| SCHEMBL16085477 | 0.74 | NR3C1 (0.47) | NPC1RAB9AMEN1MAPTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014145642-A9 | NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY | THE JOHNS HOPKINS UNIVERSITY (US) | 2014-11-13 | — | — | WO | disclosed |
| WO-2014145642-A2 | NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY | THE JOHNS HOPKINS UNIVERSITY (US) | 2014-09-18 | — | — | WO | disclosed |