Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | AVPR2 | P30518 | 6/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | OXTR | P30559 | 2/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6624777 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HTTAVPR2F2PLAU | |
| SCHEMBL6624218 | 0.85 | AVPR2 (0.39) | ALDH1A1HTTAVPR2F2PLAU | |
| SCHEMBL6626130 | 0.84 | KMT2A (0.45) | ALDH1A1HTTAVPR2F2PLAU | |
| SCHEMBL3811575 | 0.80 | MYC (0.57) | ALDH1A1HTTAVPR2KAT6AOXTR | |
| SCHEMBL17158243 | 0.79 | KAT6A (0.46) | ALDH1A1HTTAVPR2KLKB1ELANE | |
| SCHEMBL6614088 | 0.75 | AVPR2 (0.51) | ALDH1A1HTTAVPR2KAT6AAVPR1A | |
| SCHEMBL5064726 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTTKAT6AHPGDKDM4E | |
| SCHEMBL20462877 | 0.74 | KAT6A (0.61) | ALDH1A1HTTAVPR2KAT6AHDAC4 | |
| SCHEMBL6611595 | 0.74 | AVPR2 (0.55) | ALDH1A1HTTAVPR2KAT6AOXTR | |
| SCHEMBL3821527 | 0.74 | AVPR2 (0.52) | ALDH1A1AVPR2KAT6AOXTRAVPR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831079-B1 | Oral delivery; nitrogen triheterocyclic active material, surfactant, polyethylene glycol with sucrose fatty acid esters and/or polyvinylpyrrolidone | AMERICAN CYANAMID COMPANY | 2004-12-14 | — | — | US | disclosed |
| EP-1000062-B1 | TRICYCLIC VASOPRESSIN AGONISTS | WYETH CORP (US) | 2004-09-22 | — | — | EP | disclosed |
| US-6511974-B1 | Non-peptidic and have good oral bioavailability, specific vasopressin V2 agonists, therefore do not raise blood pressure | WYETH | 2003-01-28 | — | — | US | disclosed |