Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.39 |
| ▸ | HTR2C | P28335 | 6/20 | 0.39 |
| ▸ | HTR2B | P41595 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8486118 | 0.83 | IDO1 (0.40) | HTR2AHTR2CHTR2BHRH3TSHR | |
| SCHEMBL8486121 | 0.83 | IDO1 (0.40) | HTR2AHTR2CHTR2BHRH3TSHR | |
| SCHEMBL8486111 | 0.83 | IDO1 (0.40) | HTR2AHTR2CHTR2BHRH3TSHR | |
| SCHEMBL8402094 | 0.81 | ALDH1A1 (0.36) | HTR2AHTR2CHTR2BHRH3TSHR | |
| SCHEMBL7375443 | 0.75 | MAPT (0.49) | TSHRLMNAIDO1PDE4APDE4B | |
| SCHEMBL18552441 | 0.75 | MAPT (0.49) | TSHRLMNAIDO1PDE4APDE4B | |
| SCHEMBL7252422 | 0.75 | IDO1 (0.45) | TSHRLMNAIDO1PDE4APDE4B | |
| SCHEMBL6642966 | 0.75 | IDO1 (0.45) | TSHRLMNAIDO1PDE4APDE4B | |
| SCHEMBL7927054 | 0.75 | IDO1 (0.45) | TSHRLMNAIDO1PDE4APDE4B | |
| SCHEMBL8921290 | 0.75 | MAPT (0.44) | TSHRLMNAALDH1A1MAPTPRCP |
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-5643904-A | Substituted hexahdryoazepinones and tetrahydrobenzazepinones | PFIZER INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5484917-A | FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY | PFIZER INC. (US) | 1996-01-16 | — | — | US | disclosed |
| EP-0625145-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993015059-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1993-08-05 | — | — | WO | disclosed |