Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29218790 | 0.79 | MTNR1B (0.42) | — | |
| SCHEMBL31206220 | 0.79 | TRPV1 (0.55) | TRPV1ALDH1A1SIGMAR1LMNAMEN1 | |
| SCHEMBL25042203 | 0.78 | NISCH (0.47) | TRPV1ALDH1A1SIGMAR1LMNAMEN1 | |
| SCHEMBL30279129 | 0.78 | NISCH (0.47) | TRPV1ALDH1A1SIGMAR1LMNAMEN1 | |
| SCHEMBL28535213 | 0.77 | KDM4E (0.55) | ALDH1A1KDM4EPOLBHDAC6TSHR | |
| SCHEMBL29218757 | 0.76 | KDM4E (0.49) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL29218796 | 0.75 | RAB9A (0.44) | MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL29218824 | 0.73 | SMYD3 (0.43) | LMNAMEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL9226612 | 0.73 | KDM4E (0.51) | ALDH1A1SIGMAR1LMNAMEN1KMT2A | |
| SCHEMBL28527735 | 0.72 | HCAR3 (0.50) | ALDH1A1SIGMAR1MEN1KMT2ASMN1; 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-118076581-A | Iron death modulators, their preparation and use | 维泰瑞隆有限公司 | 2024-05-24 | — | — | CN | disclosed |