Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.59 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28772167 | 0.93 | CYP3A4 (0.59) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Zinc Ion SCHEMBL28779740 | 0.93 | CYP3A4 (0.59) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL912567 | 0.93 | CYP3A4 (0.59) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Lithium Ion SCHEMBL912413 | 0.93 | CYP3A4 (0.59) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Potassium Ion SCHEMBL911352 | 0.93 | CYP3A4 (0.59) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL11429108 | 0.90 | CYP3A4 (0.56) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL6901291 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Tetramethylammonium Ion SCHEMBL7643189 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL7638308 | 0.81 | CYP3A4 (0.46) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Tetraphenylphosphonium SCHEMBL7179664 | 0.81 | CYP3A4 (0.46) | CYP3A4TDP1ESR1ESR2KDM4E |
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-4775419-A | Metal amine complexes for improving the bond strength properties of asphalt | MORTON THIOKOL, INC. (US) | 1988-10-04 | — | — | US | disclosed |
| EP-0125852-B1 | METAL AMINE COMPLEXES FOR IMPROVING THE BOND STRENGTH PROPERTIES OF ASPHALT | MORTON THIOKOL, INC. (US) | 1988-07-20 | — | — | EP | disclosed |
| EP-0125852-A1 | Metal amine complexes for improving the bond strength properties of asphalt | MORTON THIOKOL, INC. (US) | 1984-11-21 | — | — | EP | disclosed |