Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29991420 | 0.78 | MAOA (0.55) | HTR2AHTR2CHTR2BNOTUMDRD2 | |
| SCHEMBL2625798 | 0.78 | MAOA (0.55) | HTR2AHTR2CHTR2BNOTUMDRD2 | |
| SCHEMBL20854517 | 0.77 | HTR2A (0.46) | HTR2AHTR2CHTR2BPNMTAKR1C3 | |
| SCHEMBL9963388 | 0.77 | ASIC3 (0.48) | HTR2AHTR2CHTR2BPNMTAKR1C3 | |
| SCHEMBL10534315 | 0.74 | CETP (0.48) | HTR2AHTR2CHTR2BPNMTAKR1C3 | |
| SCHEMBL160943 | 0.74 | HTR2A (0.55) | HTR2AHTR2CHTR2BPNMTNOTUM | |
| SCHEMBL6883015 | 0.73 | MAOA (0.59) | HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6369552 | 0.73 | PNMT (0.55) | HTR2AHTR2CHTR2BPNMTHTR7 | |
| SCHEMBL20854483 | 0.73 | HTR2A (0.42) | HTR2AHTR2CHTR2BPNMTAKR1C3 | |
| SCHEMBL15256256 | 0.73 | MAOA (0.58) | NOTUMDRD2 |
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-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |