Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 3/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | YAP1 | P46937 | 1/20 | 0.56 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918012 | 0.86 | MAOB (0.64) | KMT2AMEN1POLBMAOAMAOB | |
| SCHEMBL27936473 | 0.83 | RAB9A (0.84) | KMT2AMEN1NPC1RAB9AMAOA | |
| SCHEMBL27918013 | 0.81 | MAOA (0.72) | KMT2AMEN1NPC1RAB9AMAOA | |
| SCHEMBL28807420 | 0.81 | MAOA (0.82) | KMT2AMEN1NPC1RAB9AMAOA | |
| SCHEMBL3312894 | 0.78 | PKM (0.66) | KMT2APKMPOLBMAOAMAOB | |
| SCHEMBL13576148 | 0.75 | KMT2A (0.77) | KMT2AMEN1PKMPOLBMAOA | |
| SCHEMBL3313107 | 0.73 | KMT2A (0.62) | KMT2AMEN1RAB9APOLBMAOA | |
| SCHEMBL28414052 | 0.73 | CA12 (0.65) | KMT2AMEN1NPC1RAB9AMAOA | |
| SCHEMBL14133328 | 0.73 | KDM4E (0.67) | KMT2AMEN1PKMNPC1RAB9A | |
| SCHEMBL3319431 | 0.73 | KMT2A (0.61) | KMT2AMEN1PKMRAB9APOLB |
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-103304546-A | Pyrazoline derivatives comprising 1,4-benzodioxan structure, and preparation method and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2013-09-18 | — | — | CN | disclosed |