Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL725514 | 0.90 | CNR2 (0.41) | PTGS2HTR6SMN1; SMN2HSD17B10CA1 | |
| SCHEMBL723249 | 0.88 | NR1H2 (0.41) | PTGS2SMN1; SMN2HSD17B10CA1CA2 | |
| SCHEMBL723239 | 0.88 | SMN1; SMN2 (0.42) | PTGS2SMN1; SMN2HSD17B10CA1CA2 | |
| SCHEMBL724744 | 0.86 | GABRA2 (0.44) | HTR6SMN1; SMN2HSD17B10CA1CA2 | |
| SCHEMBL724319 | 0.85 | MAPT (0.45) | PTGS2SMN1; SMN2CA1CA2CA4 | |
| SCHEMBL786748 | 0.82 | NR1H2 (0.45) | HTR6SMN1; SMN2CA1CA2CA4 | |
| SCHEMBL724671 | 0.81 | MCL1 (0.47) | LMNAKMT2AMEN1 | |
| SCHEMBL724176 | 0.81 | CA1 (0.41) | PTGS2HSD17B10CA1CA2CA4 | |
| SCHEMBL724831 | 0.80 | NR1H2 (0.48) | SMN1; SMN2CA1CA2CA4CA9 | |
| SCHEMBL770420 | 0.80 | SMN1; SMN2 (0.48) | PTGS2SMN1; SMN2HSD17B10ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2542081-A1 | COMPOUNDS FOR TREATMENT OF CANCER | Gtx, Inc. (US) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011109059-A1 | COMPOUNDS FOR TREATMENT OF CANCER | GTX, INC. (US) | 2011-09-09 | — | — | WO | disclosed |