Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 5/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8911398 | 0.87 | NPC1 (0.33) | SCN9ABCHEKMT2AHDAC1HDAC6 | |
| SCHEMBL8121663 | 0.73 | PGK1 (0.41) | BCHEHDAC1HDAC6MAPTTP53 | |
| SCHEMBL8123118 | 0.73 | ALDH1A1 (0.45) | KMT2AMAPTLMNARAB9ANPC1 | |
| SCHEMBL13629551 | 0.73 | ERBB2 (0.39) | KMT2AHDAC1HDAC6MAPTLMNA | |
| SCHEMBL8123542 | 0.71 | POLB (0.48) | TP53SMN1; SMN2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7178258 | 0.71 | ALDH1A1 (0.47) | KMT2AMAPTLMNARAB9ANPC1 | |
| SCHEMBL10744688 | 0.71 | SLC6A3 (0.42) | KMT2AHDAC1HDAC6MAPTRAB9A | |
| SCHEMBL1421532 | 0.70 | MMP2 (0.49) | MAPTRAB9ANPC1HSP90AA1L3MBTL1 | |
| SCHEMBL7176228 | 0.70 | POLB (0.35) | SCN9AHDAC1HDAC6MAPTTP53 | |
| Butane SCHEMBL8304241 | 0.69 | MEN1 (0.34) | BCHEKMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |