Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.50 |
| ▸ | IDO1 | P14902 | 7/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | FYN | P06241 | 3/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11603643 | 0.91 | ADRA2C (0.54) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11856315 | 0.86 | ADRA2C (0.64) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11451020 | 0.84 | ADRA2C (0.62) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11448996 | 0.83 | ADRA2C (0.60) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11457359 | 0.83 | ADRA2C (0.60) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL10927284 | 0.83 | ADRA2C (0.74) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11467588 | 0.82 | ADRA2C (0.59) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11456948 | 0.82 | ADRA2C (0.59) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11748335 | 0.82 | CYP2C9 (0.57) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11757688 | 0.81 | IDO1 (0.53) | ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6 |
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-4237158-A | FOR PLANT DISEASES; PLANT GROWTH REGULATORS | ROHM AND HAAS COMPANY (US) | 1980-12-02 | — | — | US | disclosed |
| US-4118461-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-4115578-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1978-09-19 | — | — | US | disclosed |