Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL1043201 | 0.91 | CA2 (0.47) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL13230301 | 0.90 | CA2 (0.51) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL9370374 | 0.89 | MAOB (0.39) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL6348557 | 0.83 | CA2 (0.68) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL4970970 | 0.83 | CA2 (0.68) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL7346088 | 0.83 | CA2 (0.68) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL8863996 | 0.82 | HTR1A (0.44) | CYP2D6HTR1AMLNRADRB2ADRB1 | |
| SCHEMBL1872709 | 0.81 | CA2 (0.47) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL9369808 | 0.81 | CA2 (0.53) | CA2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL1043747 | 0.81 | CA2 (0.47) | CA2CYP2D6ALDH1A1CYP3A4TSHR |
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 7 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-5688952-A | VASOCONSTRICTOR INTERMEDIATES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-11-18 | — | — | US | disclosed |
| US-5624952-A | VASOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-04-29 | — | — | 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 |
| EP-0639192-A1 | (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS. | JANSSEN PHARMACEUTICA NV (BE) | 1995-02-22 | — | — | EP | 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 |