Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5407416 | 1.00 | CYP1A1 (0.42) | CYP1A1CYP19A1TSHRALDH1A1HSD17B10 | |
| SCHEMBL5407413 | 1.00 | CYP1A1 (0.42) | CYP1A1CYP19A1TSHRALDH1A1HSD17B10 | |
| SCHEMBL14578330 | 0.81 | CTSS (0.39) | ALDH1A1MAPTCYP2D6SLC6A4SLC6A3 | |
| SCHEMBL9292110 | 0.77 | CTSS (0.42) | TSHRCASRCYP2D6SLC6A4SLC6A3 | |
| SCHEMBL16672751 | 0.76 | L3MBTL1 (0.41) | MEN1KMT2A | |
| SCHEMBL2691863 | 0.75 | MAPK1 (0.53) | TSHRALDH1A1HSD17B10TDP1MEN1 | |
| SCHEMBL5082131 | 0.73 | TSHR (0.50) | TSHRALDH1A1HSD17B10TDP1TP53 | |
| SCHEMBL16713307 | 0.73 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ACASR | |
| SCHEMBL6861277 | 0.73 | SERPINE1 (0.48) | TSHRALDH1A1HSD17B10TDP1TP53 | |
| SCHEMBL1082231 | 0.72 | TSHR (0.53) | CYP1A1CYP19A1TSHRALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-7173141-B2 | Chiral lactones | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2007-02-06 | — | — | US | disclosed |