Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20445297 | 0.84 | ANO1 (0.42) | ALDH1A1HTTKDM4EKMT2AKCNK3 | |
| SCHEMBL20445294 | 0.79 | SMN1; SMN2 (0.50) | ALDH1A1KMT2ASMN1; SMN2NOS3NOS1 | |
| SCHEMBL20445329 | 0.78 | KMT2A (0.51) | ALDH1A1HTTKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL20445327 | 0.77 | F2R (0.44) | ALDH1A1KMT2ASMN1; SMN2NOS3NOS1 | |
| SCHEMBL18100305 | 0.75 | NOS3 (0.48) | ALDH1A1KMT2ANOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL11769550 | 0.75 | NOS3 (0.46) | ALDH1A1KMT2ASMN1; SMN2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL11769546 | 0.75 | NOS3 (0.46) | ALDH1A1KMT2ASMN1; SMN2NOS3NOS1 | |
| SCHEMBL21794478 | 0.72 | ESR2 (0.45) | ALDH1A1KMT2ASMN1; SMN2SIGMAR1MAPT | |
| SCHEMBL23964790 | 0.68 | SIGMAR1 (0.49) | KMT2ANOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL5307918 | 0.68 | CTNNB1 (0.61) | ALDH1A1HTTKMT2ASMN1; SMN2CTSD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018140504-A1 | COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS | PATEL MANOJ K (US) | 2018-08-02 | — | — | WO | disclosed |