Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11713798 | 0.82 | MCHR1 (0.45) | CHRNB2CHRNA4ESR1MCHR1KMT2A | |
| SCHEMBL11807845 | 0.81 | ESR1 (0.67) | ESR1CES2CES1KMT2ATHRA | |
| SCHEMBL11808372 | 0.79 | ESR1 (0.65) | CHRNB2CHRNA4ESR1CES2CES1 | |
| SCHEMBL12409068 | 0.78 | CHRNB2 (0.56) | CHRNB2CHRNA4ESR1MCHR1KMT2A | |
| SCHEMBL7608283 | 0.78 | CHRNB2 (0.56) | CHRNB2CHRNA4ESR1MCHR1KMT2A | |
| SCHEMBL6902137 | 0.77 | TSHR (0.55) | CHRNB2CHRNA4ESR1MCHR1ESR2 | |
| SCHEMBL7872686 | 0.77 | LTA4H (0.55) | CHRNB2CHRNA4ESR1MCHR1ESR2 | |
| SCHEMBL16108766 | 0.76 | NR1H4 (0.60) | CES2CES1KMT2A | |
| SCHEMBL6928043 | 0.76 | THRB (0.58) | MCHR1KMT2ATHRB | |
| SCHEMBL11716196 | 0.76 | ESR1 (0.44) | ESR1MCHR1KMT2ATHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| US-3962334-A | Aminoalkyl ethers of 2,2'- and 3,3'-dihydroxybenzil | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-06-08 | — | — | US | claimed |
| US-3962334-A | Aminoalkyl ethers of 2,2'- and 3,3'-dihydroxybenzil | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |
| US-3935191-A | Aminoalkyl ethers of 2,2'- and 3,3'-dihydroxybenzil | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |