Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682063 | 0.97 | NPC1 (0.41) | NPC1MEN1KMT2AGRM1KDM4E | |
| SCHEMBL7910316 | 0.75 | SLC9A1 (0.49) | NPC1MEN1KMT2AGRM1KDM4E | |
| SCHEMBL9680324 | 0.74 | NPC1 (0.51) | NPC1MEN1KMT2AGRM1KDM4E | |
| SCHEMBL25279182 | 0.73 | POLB (0.45) | NPC1MEN1KMT2AGRM1KDM4E | |
| SCHEMBL30825541 | 0.71 | KDM4E (0.59) | NPC1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6333760 | 0.70 | ALDH1A1 (0.59) | NPC1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL25274599 | 0.70 | KDM4E (0.48) | NPC1KMT2AGRM1KDM4EALDH1A1 | |
| SCHEMBL29580781 | 0.69 | TDP1 (0.41) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL20539389 | 0.69 | TDP1 (0.41) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL6073463 | 0.69 | CYP11B1 (0.36) | NPC1KDM4EALDH1A1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |