Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CETP | P11597 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13659474 | 0.88 | TSHR (0.69) | NPC1MAPTHPGDSMN1; SMN2TSHR | |
| SCHEMBL18432935 | 0.77 | HPGD (0.59) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL9923070 | 0.76 | HPGD (0.65) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL10144005 | 0.75 | ALDH1A1 (0.57) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL740934 | 0.75 | POLB (0.70) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL17831066 | 0.74 | LMNA (0.64) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL18432931 | 0.72 | ALDH1A1 (0.65) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL16063220 | 0.72 | NPC1 (0.65) | TP53NPC1RAB9AHSD17B10MAPT | |
| SCHEMBL13167011 | 0.72 | MAPT (1.00) | TP53NPC1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28827968 | 0.71 | HPGD (0.62) | TP53NPC1RAB9AHSD17B10MAPT |
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-2009128964-A2 | ENSEMBLE-BASED VIRTUAL SCREENING REVEALS NOVEL ANTIVIRAL COMPOUNDS FOR AVIAN INFLUENZA NEURAMINIDASE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-10-22 | — | — | WO | disclosed |