Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| SCHEMBL1207948 | 0.78 | SIGMAR1 (0.47) | ADRB1HTR2CHTR1AHTR3AHTR2A | |
| Hydrochloric Acid SCHEMBL3958746 | 0.77 | SIGMAR1 (0.46) | ADRB1HTR2CHTR1AHTR3AHTR2A | |
| SCHEMBL7838014 | 0.73 | ADRB1 (1.00) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| SCHEMBL379449 | 0.73 | ADRB1 (1.00) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| Bromide SCHEMBL4875933 | 0.72 | ADRB1 (0.97) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| Hydrochloric Acid SCHEMBL7757785 | 0.72 | ADRB1 (0.97) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| Hydrochloric Acid SCHEMBL1706127 | 0.72 | ADRB1 (0.97) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| SCHEMBL5669070 | 0.72 | ADRB1 (0.97) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| Hydrochloric Acid SCHEMBL1024982 | 0.72 | ADRB1 (0.97) | ADRB1MAPTHTR2CHTR1AHTR3A | |
| Piperazine SCHEMBL28092166 | 0.72 | ADRB1 (0.97) | ADRB1MAPTHTR2CHTR1AHTR3A |
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-6271265-B1 | N-TERT-BUTYL-2-HYDROXYBENZAMIDE FOR INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. | 2001-08-07 | — | — | US | disclosed |
| EP-1077699-A1 | AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059582-A1 | AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-11-25 | — | — | WO | disclosed |