Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL10382800 | 0.83 | HDAC3 (0.52) | SLC2A1ALDH1A1LMNAPOLBHTT | |
| SCHEMBL10382562 | 0.82 | HPGD (0.44) | CYP2D6CYP4F2CYP4A11SLC2A1BCHE | |
| SCHEMBL7340442 | 0.81 | ALOX5 (0.42) | EGFRERBB2PDK1PDK2PDK3 | |
| SCHEMBL7438637 | 0.78 | CYP4F2 (0.49) | CYP4F2CYP4A11SLC2A1LTA4HPLA2G2A | |
| Hydrochloric Acid SCHEMBL10382971 | 0.78 | CYP4F2 (0.48) | CYP4F2CYP4A11SLC2A1LTA4HPLA2G2A | |
| SCHEMBL10383817 | 0.77 | SLC2A1 (0.56) | CYP2D6CYP4F2CYP4A11SLC2A1BCHE | |
| SCHEMBL7281747 | 0.76 | MTNR1A (0.55) | SLC2A1BCHEALDH1A1LMNAPOLB | |
| SCHEMBL613552 | 0.76 | HPGD (0.49) | ALDH1A1SMN1; SMN2MTNR1AMTNR1BFFAR1 | |
| SCHEMBL10382949 | 0.74 | CYP4F2 (0.47) | CYP4F2CYP4A11BCHE | |
| SCHEMBL2749630 | 0.71 | CYP4F2 (0.63) | CYP2D6CYP4F2CYP4A11LTA4HPLA2G2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0223598-B1 | CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FISONS plc (GB) | 1991-06-12 | — | — | EP | disclosed |
| US-4939147-A | Substituted 3,4-dihydroxy phenylethylamino compounds | FISONS PLC. (GB) | 1990-07-03 | — | — | US | disclosed |
| US-4922022-A | Substituted 3,4-dihydroxy phenylethylamino compounds | FISONS PLC (GB) | 1990-05-01 | — | — | US | disclosed |
| US-4883804-A | Aromatic compounds | FISONS PLC (GB) | 1989-11-28 | — | — | US | disclosed |