Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL6774385 | 0.89 | SLC6A2 (0.41) | SLC6A2HTR1ASLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL9041147 | 0.88 | SLC6A2 (0.40) | HTR6SLC6A2HTR1ASLC6A4SLC6A3 | |
| SCHEMBL10800267 | 0.83 | HTR3A (0.47) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL4771690 | 0.77 | PRCP (0.39) | SLC6A2HTR1ASLC6A4SLC6A3TACR1 | |
| SCHEMBL10795203 | 0.73 | HTR3A (0.45) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| Maleic Acid SCHEMBL10798729 | 0.72 | HRH1 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5214386 | 0.71 | SLC6A4 (0.33) | SLC6A4HTR2CHTR2BKCNH2SIGMAR1 | |
| SCHEMBL10795562 | 0.71 | SLC18A3 (0.45) | SLC6A2HTR1ASLC6A4SLC6A3HTR2C | |
| SCHEMBL7800906 | 0.69 | SLC6A2 (0.42) | SLC6A2HTR1ASLC6A4SLC6A3KCNH2 | |
| SCHEMBL22297718 | 0.69 | KDM1A (0.40) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |