Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5380379 | 0.89 | S1PR5 (0.48) | GSTP1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL7549200 | 0.88 | REV1 (0.49) | GSTP1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL5383112 | 0.88 | GSTP1 (0.50) | GSTP1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL28080846 | 0.83 | HPGDS (0.49) | RAB9AKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL6592125 | 0.83 | PTGER3 (0.51) | GSTP1KDM4EALDH1A1S1PR5PTGS1 | |
| SCHEMBL6592132 | 0.83 | PTGER3 (0.51) | GSTP1KDM4EALDH1A1S1PR5PTGS1 | |
| SCHEMBL5381548 | 0.83 | FFAR1 (0.59) | FFAR1 | |
| SCHEMBL5385365 | 0.83 | S1PR5 (0.51) | GSTP1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL28238241 | 0.80 | NPC1 (0.56) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL5374881 | 0.79 | LTB4R (0.47) | GSTP1NPC1RAB9ATP53SMN1; SMN2 |
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-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |