Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 9/20 | 0.78 |
| ▸ | MEN1 | O00255 | 8/20 | 0.78 |
| ▸ | NPC1 | O15118 | 7/20 | 0.78 |
| ▸ | RAB9A | P51151 | 7/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | GCK | P35557 | 4/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14757207 | 0.90 | NPC1 (0.74) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757297 | 0.89 | KMT2A (0.86) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757374 | 0.88 | KMT2A (0.84) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757204 | 0.88 | NPC1 (1.00) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757208 | 0.87 | KMT2A (0.82) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757210 | 0.87 | KMT2A (0.82) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757278 | 0.86 | KMT2A (0.84) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757176 | 0.85 | KMT2A (0.79) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757211 | 0.84 | KMT2A (0.78) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL14757256 | 0.84 | KMT2A (0.78) | KMT2AMEN1NPC1RAB9AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013032907-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER STEM CELLS | THE BROAD INSTITUTE, INC. (US) | 2013-03-07 | — | — | WO | disclosed |