Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.49 |
| ▸ | HTR3B | O95264 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21781468 | 0.79 | PRKCI (0.55) | — | |
| SCHEMBL17230076 | 0.77 | GRIN2B (0.48) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL18015843 | 0.75 | TAAR1 (0.55) | TAAR1PNMTMAOBAOC3IDO1 | |
| SCHEMBL5471659 | 0.75 | TAAR1 (0.78) | TAAR1PNMTMAOBAOC3CYP3A4 | |
| SCHEMBL6968998 | 0.75 | PRKCI (0.58) | TAAR1PNMTMAOBAOC3ALOX5 | |
| SCHEMBL10987297 | 0.75 | TAAR1 (0.55) | TAAR1PNMTMAOBAOC3CYP3A4 | |
| SCHEMBL31222672 | 0.74 | ALOX5 (0.65) | TAAR1MAOBIDO1ALOX5PGR | |
| SCHEMBL817554 | 0.74 | ALOX5 (0.65) | TAAR1MAOBIDO1ALOX5PGR | |
| SCHEMBL6968995 | 0.73 | AGXT (0.55) | TAAR1PNMTMAOBCYP3A4IDO1 | |
| SCHEMBL4208044 | 0.73 | GRIN2D (0.55) | TAAR1GRIN2BAOC3CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022119090-A1 | BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT | 한국과학기술연구원 | 2022-06-09 | — | — | WO | disclosed |