Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | PTP4A3 | O75365 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.36 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11522473 | 0.82 | ESR1 (0.53) | ESR1CYP2A6HSD17B1ESR2HSD17B2 | |
| SCHEMBL11520083 | 0.81 | ESR1 (0.56) | ESR1CYP2A6HSD17B1ESR2HSD17B2 | |
| SCHEMBL9755135 | 0.81 | HSD17B1 (0.70) | ESR1HSD17B1ESR2HSD17B2PTP4A3 | |
| SCHEMBL11522181 | 0.79 | HSD17B1 (0.55) | ESR1CYP2A6HSD17B1ESR2HSD17B2 | |
| SCHEMBL11521978 | 0.79 | HSD17B1 (0.58) | ESR1HSD17B1ESR2HSD17B2CYP1A1 | |
| SCHEMBL22299910 | 0.79 | ALDH1A1 (0.55) | ESR1HSD17B1ESR2HSD17B2PTP4A3 | |
| SCHEMBL119652 | 0.79 | HSD17B1 (0.58) | ESR1HSD17B1ESR2HSD17B2CYP1A1 | |
| SCHEMBL11525349 | 0.79 | HSD17B1 (0.58) | ESR1HSD17B1ESR2HSD17B2CYP1A1 | |
| Hydrogen Sulfide SCHEMBL3010970 | 0.77 | HSD17B1 (0.57) | ESR1HSD17B1ESR2HSD17B2CYP1A1 | |
| SCHEMBL11520044 | 0.77 | HSD17B1 (0.66) | ESR1HSD17B1ESR2HSD17B2PTP4A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4174405-A | MITICIDES | UNIROYAL, INC. (US) | 1979-11-13 | — | — | US | claimed |
| US-4174405-A | MITICIDES | UNIROYAL, INC. (US) | 1979-11-13 | — | — | US | disclosed |