Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.60 |
| ▸ | AR | P10275 | 2/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | FOS | P01100 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | JUN | P05412 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17281707 | 0.89 | ESR1 (0.58) | ESR1ESR2ARMAOBTAAR1 | |
| SCHEMBL3436061 | 0.85 | MAOB (0.50) | MAOBTAAR1TSHRMAPK1HSD17B2 | |
| SCHEMBL1525445 | 0.85 | MAOB (0.50) | ARMAOBTAAR1TSHRMAPK1 | |
| SCHEMBL19431278 | 0.85 | MAOB (0.50) | MAOBTAAR1TSHRMAPK1HSD17B2 | |
| SCHEMBL16649199 | 0.85 | MAOB (0.50) | MAOBTAAR1TSHRMAPK1HSD17B2 | |
| SCHEMBL11648169 | 0.84 | TSHR (0.49) | MAOBTAAR1TSHRMAPK1HSD17B2 | |
| SCHEMBL29105737 | 0.83 | ESR1 (0.48) | ESR1ESR2ARMAOB | |
| SCHEMBL28892093 | 0.82 | TAAR1 (0.47) | MAOBTAAR1TSHRMAPK1HSD17B2 | |
| SCHEMBL125447 | 0.80 | MAOB (0.57) | ESR1MAOBTAAR1TSHRMAPK1 | |
| SCHEMBL11231259 | 0.80 | ESR1 (0.57) | ESR1ESR2ARGAALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160299157-A1 | METHODS FOR DETERMINING RELATIVE BINDING ENERGY OF MONOMERS AND METHODS OF USING THE SAME | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2016-10-13 | — | — | US | disclosed |
| US-20160299157-A1 | METHODS FOR DETERMINING RELATIVE BINDING ENERGY OF MONOMERS AND METHODS OF USING THE SAME | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2016-10-13 | — | — | US | disclosed |
| US-20150338423-A1 | METHODS FOR DETERMINING RELATIVE BINDING ENERGY OF MONOMERS AND METHODS OF USING THE SAME | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2015-11-26 | — | — | US | disclosed |
| US-20150338423-A1 | METHODS FOR DETERMINING RELATIVE BINDING ENERGY OF MONOMERS AND METHODS OF USING THE SAME | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2015-11-26 | — | — | US | disclosed |