Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27621641 | 0.81 | KMT2A (0.37) | KMT2ASMN1; SMN2RAB9ANPC1TP53 | |
| Ethoxycarbonyl Group SCHEMBL28036672 | 0.79 | HSP90AA1 (0.55) | KMT2ASMN1; SMN2RAB9ANPC1TP53 | |
| Ethoxycarbonyl Group SCHEMBL27836255 | 0.79 | CDC7 (0.37) | KMT2ASMN1; SMN2RAB9ANPC1TP53 | |
| Ethoxycarbonyl Group SCHEMBL28310600 | 0.78 | MAPT (0.43) | KMT2ASMN1; SMN2RAB9ANPC1TP53 | |
| Pyrazine SCHEMBL27608305 | 0.77 | KMT2A (0.31) | KMT2ANPSR1 | |
| Formamide SCHEMBL28216085 | 0.75 | HSP90AA1 (0.41) | KMT2AKDM4ETSHRCYP19A1TDP1 | |
| Formic Acid SCHEMBL27909158 | 0.75 | KDM4E (0.40) | KMT2ARAB9ANPC1KDM4ENPSR1 | |
| Pyrazine SCHEMBL28076131 | 0.75 | — | — | |
| Pyrazine SCHEMBL27608298 | 0.75 | — | — | |
| SCHEMBL29460909 | 0.74 | — | — |
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-101115717-A | Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists | AVENTIS PHARMA INC (US) | 2008-01-30 | — | — | CN | disclosed |