Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.47 |
| ▸ | HTR1D | P28221 | 6/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8864699 | 1.00 | HTR1A (0.47) | HTR1AHTR1DDRD2DRD3ADRA1A | |
| SCHEMBL8863858 | 0.83 | HTR1A (0.61) | HTR1AHTR1DHPGD | |
| SCHEMBL8864552 | 0.82 | HTR1A (0.60) | HTR1AHTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL8864249 | 0.77 | HTR1A (0.73) | HTR1AHTR1DDRD2DRD3ADRA1A | |
| SCHEMBL8864237 | 0.77 | HTR1A (0.73) | HTR1AHTR1DDRD2DRD3ADRA1A | |
| SCHEMBL8879283 | 0.73 | HTR1A (0.39) | HTR1AHTR1DDRD2DRD3ADRA1A | |
| SCHEMBL8879298 | 0.73 | HTR1A (0.39) | HTR1AHTR1DDRD2DRD3ADRA1A | |
| SCHEMBL8879292 | 0.72 | HTR1A (0.37) | HTR1AHTR1DDRD2DRD3ADRA1A | |
| SCHEMBL23940685 | 0.69 | DRD2 (0.49) | HTR1ADRD2DRD3ADRA1AMLNR | |
| SCHEMBL20179482 | 0.69 | DRD2 (0.49) | HTR1ADRD2DRD3ADRA1AMLNR |
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 |
|---|---|---|---|---|---|---|---|
| US-5703115-A | VASOCONSTRICTORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-12-30 | — | — | US | disclosed |
| US-5607949-A | VASOCONTRICTORS, TREATING MIGRAIN | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-03-04 | — | — | US | disclosed |
| US-5541180-A | HEADACHE THERAPY | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-07-30 | — | — | US | disclosed |
| WO-1993017017-A1 | [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-02 | — | — | WO | disclosed |