Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL1179149 | 0.73 | TPMT (0.56) | TPMTALOX15TSHRHIF1AKDM4E | |
| SCHEMBL19814421 | 0.73 | HTT (0.44) | KDM4ELMNAHTTALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL11078337 | 0.71 | TPMT (0.54) | TPMTALOX15TSHRHIF1AKDM4E | |
| Hydrochloric Acid SCHEMBL1179035 | 0.71 | TPMT (0.54) | TPMTALOX15TSHRHIF1AKDM4E | |
| SCHEMBL1291103 | 0.69 | NOS3 (0.50) | TPMTALOX15TSHRHIF1AKDM4E | |
| SCHEMBL31750445 | 0.69 | TPMT (0.46) | TPMTALOX15TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL2564827 | 0.69 | TPMT (0.46) | TPMTALOX15TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8908899 | 0.68 | TPMT (0.50) | TPMTALOX15TSHRHIF1AKDM4E | |
| SCHEMBL3686639 | 0.66 | ALOX15 (0.71) | TPMTALOX15TSHRHIF1AKDM4E | |
| SCHEMBL2085141 | 0.66 | TPMT (0.48) | TPMTALOX15TSHRHIF1AKDM4E |
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-106478497-B | Arylamine derivatives as TTX-S blockers | 拉夸里亚创药株式会社 | 2020-05-08 | — | — | CN | disclosed |