Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3436431 | 0.84 | ADRB1 (0.48) | ADRB1TSHRAVPR1AAKR1C3SLC18A3 | |
| SCHEMBL3436430 | 0.84 | ADRB1 (0.48) | ADRB1TSHRAVPR1AAKR1C3SLC18A3 | |
| SCHEMBL7335047 | 0.84 | ADRB1 (0.50) | ADRB1TSHRAVPR1AAKR1C3SLC18A3 | |
| SCHEMBL8783217 | 0.83 | HTR2C (0.45) | ADRB1AR | |
| SCHEMBL7339407 | 0.82 | ADRB1 (0.51) | ADRB1TSHRAVPR1AAKR1C3SLC18A3 | |
| SCHEMBL7446512 | 0.76 | ADRB1 (0.57) | ADRB1TSHRAVPR1AAKR1C3SLC18A3 | |
| SCHEMBL21281577 | 0.75 | ADRB1 (0.61) | ADRB1TSHRSLC18A3ALDH1A1MAPT | |
| SCHEMBL21268764 | 0.75 | ADRB1 (0.61) | ADRB1TSHRSLC18A3ALDH1A1MAPT | |
| SCHEMBL21268746 | 0.75 | ADRB1 (0.61) | ADRB1TSHRSLC18A3ALDH1A1MAPT | |
| SCHEMBL4932925 | 0.74 | ADRB1 (0.50) | ADRB1ALDH1A1HTTHTR7SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |