Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 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 | |
|---|---|---|---|---|
| SCHEMBL18537150 | 0.77 | HTR2C (0.53) | HTR2CHTR2AHTR2BSLC22A1CYP3A4 | |
| SCHEMBL4966926 | 0.75 | HTR5A (0.40) | HTR2CHTR2BADRA2AHTR5AHTR1A | |
| SCHEMBL21940626 | 0.71 | ADRA2A (0.46) | HTR2CHTR2AHTR2BADRA2ASLC22A1 | |
| SCHEMBL31682394 | 0.71 | ADRA2A (0.46) | HTR2CHTR2AHTR2BADRA2ASLC22A1 | |
| SCHEMBL7092152 | 0.70 | HTR2C (0.80) | HTR2CHTR2AHTR2BTSHRMEN1 | |
| SCHEMBL11817537 | 0.67 | ADRA2A (0.42) | HTR2CHTR2AHTR2BADRA2ASLC22A1 | |
| SCHEMBL6906401 | 0.66 | HSD11B1 (0.40) | TSHRLMNARYR2 | |
| SCHEMBL14303312 | 0.66 | HTR2C (0.38) | HTR2CHTR2A | |
| SCHEMBL31484123 | 0.66 | HSD11B1 (0.40) | TSHRLMNARYR2 | |
| SCHEMBL23986655 | 0.66 | METAP1 (0.46) | HTR2CHTR2AHTR2BMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0745086-A4 | TRICYCLIC SPIROPIPERIDINES | MERCK & CO INC (US) | 1997-08-13 | — | — | EP | disclosed |
| EP-0745086-A1 | TRICYCLIC SPIROPIPERIDINES | MERCK & CO. INC. (US) | 1996-12-04 | — | — | EP | disclosed |