Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | GUSB | P08236 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6747761 | 0.74 | KMT2A (0.47) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL6745971 | 0.74 | KMT2A (0.47) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL6745130 | 0.73 | MEN1 (0.52) | KMT2AMEN1NPC1RAB9AHTT | |
| SCHEMBL6747478 | 0.73 | MEN1 (0.52) | KMT2AMEN1NPC1RAB9AHTT | |
| SCHEMBL6745132 | 0.73 | MEN1 (0.52) | KMT2AMEN1NPC1RAB9AHTT | |
| SCHEMBL6745991 | 0.70 | KMT2A (0.48) | KMT2AMEN1NPC1RAB9AHTT | |
| SCHEMBL28350135 | 0.69 | ALDH1A1 (0.40) | KMT2AGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6747484 | 0.69 | RAB9A (0.52) | KMT2AMEN1NPC1RAB9AHTT | |
| SCHEMBL499971 | 0.69 | ALDH1A1 (0.38) | KMT2AMEN1NPC1RAB9AGABRA1 | |
| SCHEMBL6181736 | 0.68 | KCNH2 (0.57) | ALDH1A1MAPTGAAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123652-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | EP | disclosed |