Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | NNMT | P40261 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | HTR1F | P30939 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL21459468 | 1.00 | HTR2A (0.41) | HTR2ANNMTHTR6HTR1AHTR3E | |
| SCHEMBL23257404 | 0.86 | HTR2A (0.41) | HTR2ANNMT | |
| SCHEMBL18396986 | 0.79 | NNMT (0.44) | NNMTMTNR1AMTNR1BNOS1 | |
| SCHEMBL29610740 | 0.78 | GAA (0.43) | HTR2AHTR6HTR1AHTR2C | |
| SCHEMBL21459396 | 0.78 | GAA (0.43) | HTR2AHTR6HTR1AHTR2C | |
| SCHEMBL31088804 | 0.78 | HTR2A (0.38) | HTR2AHTR6HTR1AHTR3EHTR3B | |
| SCHEMBL31089206 | 0.77 | HTR2A (0.37) | HTR2AHTR6HTR1AHTR3EHTR3B | |
| SCHEMBL10263430 | 0.77 | NOS3 (0.55) | NNMTL3MBTL1NOS1 | |
| SCHEMBL1922545 | 0.77 | NNMT (0.45) | NNMTMTNR1AMTNR1BNOS1 | |
| SCHEMBL21459479 | 0.76 | HTR7 (0.37) | HTR2AHTR6HTR1AHTR1DHTR1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |
| EP-4045039-A1 | INHIBITING HUMAN INTEGRIN ALPHA4BETA7 | Morphic Therapeutic, Inc. (US) | 2022-08-24 | — | — | EP | disclosed |