Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 7/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL3892241 | 0.81 | KDR (0.39) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL25979376 | 0.78 | HTT (0.36) | NPC1ALDH1A1KDM4EMAPTNPSR1 | |
| SCHEMBL25109584 | 0.77 | HTT (0.32) | NPC1ALDH1A1KDM4ESMN1; SMN2HTT | |
| SCHEMBL22275817 | 0.77 | L3MBTL1 (0.40) | NPC1ALDH1A1KDM4EMAPTNPSR1 | |
| SCHEMBL31481112 | 0.75 | EPHX2 (0.53) | NPC1ALDH1A1KDM4EMAPTNPSR1 | |
| SCHEMBL25108325 | 0.75 | CREBBP (0.33) | — | |
| SCHEMBL22275391 | 0.74 | KDM5A (0.33) | SMN1; SMN2HTT | |
| SCHEMBL4374010 | 0.74 | — | — | |
| SCHEMBL16608477 | 0.73 | DGAT1 (0.34) | — | |
| SCHEMBL25624048 | 0.72 | — | — |
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-2729448-B1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES INC (US) | 2015-09-09 | — | — | EP | disclosed |