Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23550094 | 0.80 | TRPA1 (0.50) | TRPA1ATMHSD17B1HSD17B2LMNA | |
| SCHEMBL4976492 | 0.78 | TRPA1 (0.48) | TRPA1ATMHSD17B1HSD17B2LMNA | |
| SCHEMBL28171956 | 0.78 | TRPA1 (0.48) | TRPA1ATMHSD17B1HSD17B2LMNA | |
| SCHEMBL27303906 | 0.78 | TRPA1 (0.54) | TRPA1ATMHSD17B1HSD17B2LMNA | |
| SCHEMBL2134038 | 0.77 | TRPA1 (0.46) | TRPA1ATMHSD17B1HSD17B2LMNA | |
| SCHEMBL4711338 | 0.77 | HPGD (0.48) | LMNAHSD17B10ALDH1A1HPGDTP53 | |
| SCHEMBL30525835 | 0.77 | HPGD (0.48) | LMNAHSD17B10ALDH1A1HPGDTP53 | |
| SCHEMBL16951421 | 0.75 | TRPA1 (0.54) | TRPA1ATMHSD17B1HSD17B2LMNA | |
| SCHEMBL2928032 | 0.74 | HSD17B14 (0.38) | HSD17B1HSD17B2LMNAHSD17B10ALDH1A1 | |
| SCHEMBL20168228 | 0.74 | CA1 (0.46) | LMNAHSD17B10ALDH1A1HPGDTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105061313-B | Androgen receptor modulating compounds | 奥赖恩公司 | 2017-07-18 | — | — | CN | disclosed |
| EP-2655370-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087519-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2012-06-28 | — | — | WO | disclosed |