Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | PGR | P06401 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | AR | P10275 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | DRD1 | P21728 | 1/20 | 0.62 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL85692 | 1.00 | ESR1 (0.62) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| SCHEMBL19245695 | 1.00 | ESR1 (0.62) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| SCHEMBL16065316 | 1.00 | ESR1 (0.62) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL7075035 | 0.98 | ESR1 (0.60) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| SCHEMBL27887355 | 0.98 | ESR1 (0.60) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| Butane SCHEMBL27399103 | 0.95 | ESR1 (0.58) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL6040023 | 0.95 | ESR1 (0.58) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| SCHEMBL2740762 | 0.93 | ESR1 (0.56) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| SCHEMBL2740764 | 0.93 | ESR1 (0.56) | ESR1ALOX15CYP2C9LMNACYP1A2 | |
| SCHEMBL19164734 | 0.91 | ESR1 (0.54) | ESR1ALOX15CYP2C9LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019038721-A1 | POLYUREA COMPOSITION COMPRISING HYDROXYL COMPONENT AND METHODS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019038722-A1 | POLYUREA COMPOSITION COMPRISING WATER SCAVENGER AND HYDROXYL COMPONENT AND METHOD | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2019-02-28 | — | — | WO | disclosed |