Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7339407 | 0.84 | ADRB1 (0.51) | ADRB1TSHRAVPR1AALDH1A1AKR1C3 | |
| SCHEMBL7336452 | 0.84 | ADRB1 (0.48) | ADRB1TSHRAVPR1AALDH1A1AKR1C3 | |
| SCHEMBL3436431 | 0.84 | ADRB1 (0.48) | ADRB1TSHRAVPR1AALDH1A1AKR1C3 | |
| SCHEMBL3436430 | 0.84 | ADRB1 (0.48) | ADRB1TSHRAVPR1AALDH1A1AKR1C3 | |
| SCHEMBL30471730 | 0.81 | HTR1A (0.52) | TSHRALDH1A1HTR7FPR2SCN9A | |
| SCHEMBL30471689 | 0.78 | FPR2 (0.41) | TSHRALDH1A1SIRT1SIRT2FPR2 | |
| SCHEMBL8783217 | 0.78 | HTR2C (0.45) | ADRB1AR | |
| SCHEMBL7446512 | 0.78 | ADRB1 (0.57) | ADRB1TSHRAVPR1AALDH1A1AKR1C3 | |
| SCHEMBL21268764 | 0.77 | ADRB1 (0.61) | ADRB1TSHRALDH1A1SLC18A3AR | |
| SCHEMBL21268746 | 0.77 | ADRB1 (0.61) | ADRB1TSHRALDH1A1SLC18A3AR |
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 6 patents. 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 |
| US-5756504-A | TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0751773-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0751773-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5464788-A | Stopping labor | MERCK & CO., INC. (US) | 1995-11-07 | — | — | US | disclosed |
| WO-1995025443-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-09-28 | — | — | WO | disclosed |