Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8119800 | 0.84 | KMT2A (0.68) | KMT2AMEN1CYP2D6POLBHTT | |
| SCHEMBL27196351 | 0.83 | ULK1 (0.44) | KMT2AMEN1MGLLHSD11B1SRD5A2 | |
| SCHEMBL507614 | 0.79 | KMT2A (0.66) | KMT2AMEN1CYP2D6POLBHTT | |
| SCHEMBL728685 | 0.77 | KMT2A (0.72) | KMT2AMEN1CYP2D6POLBHTT | |
| Bicarbonate SCHEMBL11484457 | 0.73 | KMT2A (0.68) | KMT2AMEN1CYP2D6POLBHTT | |
| SCHEMBL19248256 | 0.73 | SMYD3 (0.53) | KDM2BMGLLALDH1A1SMN1; SMN2 | |
| SCHEMBL23962814 | 0.72 | KMT2A (0.66) | KMT2AMEN1CYP2D6POLBHTT | |
| SCHEMBL7001156 | 0.71 | KMT2A (0.64) | KMT2AMEN1CYP2D6POLBHTT | |
| SCHEMBL22867785 | 0.71 | HTT (0.53) | KMT2AMEN1CYP2D6POLBHTT | |
| SCHEMBL19226684 | 0.71 | KMT2A (0.84) | KMT2AMEN1CYP2D6KDM1APOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-106029650-B | Tetrahydro-benzodiazepine * ketone | 豪夫迈·罗氏有限公司 | 2019-10-25 | — | — | CN | disclosed |