Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 12/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | MLNR | O43193 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9450095 | 0.86 | HTR1A (0.45) | CYP2D6KDM4EALDH1A1ADRB2ADRB1 | |
| Benzoic Acid SCHEMBL9449993 | 0.86 | ADRB2 (0.52) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL9646944 | 0.84 | ADRB2 (0.56) | CYP1A2CYP2D6KDM4EALDH1A1ADRB2 | |
| SCHEMBL9450191 | 0.83 | ADRB2 (0.58) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL6451228 | 0.80 | HTR1A (0.72) | CYP1A2CYP2D6KDM4EALDH1A1ADRB2 | |
| Benzoic Acid SCHEMBL9647080 | 0.79 | ADRB2 (0.53) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL9131228 | 0.79 | ADRB2 (0.51) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7333097 | 0.78 | ADRB2 (0.57) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL9518682 | 0.77 | ADRB2 (0.59) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 | |
| Benzoic Acid SCHEMBL9131218 | 0.77 | ADRB2 (0.51) | CYP1A2CYP2D6KDM4EALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5182282-A | Antiarrhythmia agents | ROUSSEL UCLAF (FR) | 1993-01-26 | — | — | US | disclosed |
| US-5086070-A | 4-BENZYL-1H-INDOLES AND ANTI-ARRTHYMIC USE THEREOF | ROUSSEL UCLAF (FR) | 1992-02-04 | — | — | US | disclosed |