Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27513259 | 0.82 | ALDH1A1 (0.41) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL1256766 | 0.81 | NPC1 (0.47) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL29853 | 0.79 | NPC1 (0.54) | KMT2ARAB9ANPC1MEN1SLC1A3 | |
| SCHEMBL28201815 | 0.77 | ALDH1A1 (0.55) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL9936012 | 0.77 | KMT2A (0.55) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL29562242 | 0.77 | ALDH1A1 (0.55) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL6006432 | 0.77 | KMT2A (0.47) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL23421423 | 0.77 | KMT2A (0.58) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL29631756 | 0.77 | KMT2A (0.58) | KMT2AALDH1A1KDM4ERAB9AGAA | |
| SCHEMBL4281890 | 0.77 | KMT2A (0.58) | KMT2AALDH1A1KDM4ERAB9AGAA |
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-106083849-A | The quaternary condensed or five-membered ring pyrido phthalazone compounds as PARP inhibitor | 百济神州有限公司 | 2016-11-09 | — | — | CN | disclosed |