Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4450591 | 0.79 | ESR2 (0.74) | ESR1ESR2KMT2A | |
| SCHEMBL5249715 | 0.78 | ESR2 (0.62) | ESR1ESR2KMT2ARAB9A | |
| SCHEMBL3847320 | 0.78 | ESR1 (0.43) | ESR1ESR2KMT2ARAB9ANPC1 | |
| SCHEMBL16229876 | 0.78 | MGLL (0.48) | ESR1ESR2 | |
| SCHEMBL13171829 | 0.78 | ESR2 (0.68) | ESR1ESR2KMT2A | |
| SCHEMBL4668221 | 0.77 | ESR1 (0.50) | ESR1ESR2KMT2AHPGDIDO1 | |
| SCHEMBL12336908 | 0.77 | ESR2 (0.78) | ESR1ESR2KMT2A | |
| Ammonia Solution, Strong SCHEMBL4910431 | 0.76 | ESR1 (0.48) | ESR1ESR2KMT2AHPGDIDO1 | |
| SCHEMBL6028666 | 0.74 | CES2 (0.46) | CES2CES1KMT2ARAB9ANPC1 | |
| SCHEMBL6028679 | 0.74 | CES2 (0.46) | CES2CES1KMT2ARAB9ANPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107739338-A | Formamide and urea derivative as capsaicin analog receptors ligand | 美迪福伦DBT有限公司 | 2018-02-27 | — | — | CN | disclosed |
| EP-1100774-B1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INST TECHNOLOGY (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6323366-B1 | ACTIVATED ARYL GROUP AND AN IMINE GROUP ARE COMBINED, IN THE PRESENCE OF A TRANSITION METAL CATALYST FOR FORMATION OF A CARBON-NITROGEN BOND BETWEEN THE ACTIVATED CARBON OF THE ARENE AND IMINE NITROGEN; CONVERTING TO ARYLAMINE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-11-27 | — | — | US | disclosed |
| EP-1100774-A1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000005199-A1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-02-03 | — | — | WO | disclosed |