Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16314688 | 1.00 | TAAR1 (0.45) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL409924 | 0.83 | TAAR1 (0.45) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14135335 | 0.82 | TAAR1 (0.44) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL22508787 | 0.82 | TAAR1 (0.43) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11180436 | 0.82 | TAAR1 (0.43) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11753264 | 0.81 | ESR1 (0.54) | TAAR1HTR3ACYP2C19PPARGPPARA | |
| SCHEMBL11062642 | 0.80 | TAAR1 (0.50) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11471420 | 0.79 | CYP1A2 (0.45) | TAAR1CYP1A2IGF1RALOX15MMP2 | |
| SCHEMBL21509220 | 0.79 | SPHK2 (0.42) | MMP2MMP9MMP12MMP13MMP14 | |
| SCHEMBL17593377 | 0.79 | TAAR1 (0.45) | TAAR1MMP2MMP9MMP12MMP13 |
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-4209447-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-06-24 | — | — | US | disclosed |
| US-4139540-A | FUNGICIDE, BACTERICIDE INTERMEDIATE | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-02-13 | — | — | US | disclosed |
| US-3936470-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-02-03 | — | — | US | disclosed |