Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 17/20 | 0.70 |
| ▸ | ADRB1 | P08588 | 15/20 | 0.70 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6539290 | 0.90 | ADRB3 (0.79) | ADRB3ADRB1ADRB2ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL6538830 | 0.88 | ADRB3 (0.76) | ADRB3ADRB1ADRB2NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL6539378 | 0.88 | ADRB3 (0.76) | ADRB3ADRB1PKMNPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL6539886 | 0.87 | ADRB3 (0.75) | ADRB3ADRB1ADRB2MAPK1NPC1 | |
| Trifluoroacetic Acid SCHEMBL6539409 | 0.87 | ADRB3 (0.75) | ADRB3ADRB1ADRB2ALDH1A1NPC1 | |
| Trifluoroacetic Acid SCHEMBL6539793 | 0.86 | ADRB3 (0.92) | ADRB3ADRB1ADRB2ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL6539730 | 0.86 | ADRB3 (0.75) | ADRB3ADRB1ADRB2 | |
| Trifluoroacetic Acid SCHEMBL6539537 | 0.85 | ADRB3 (0.81) | ADRB3ADRB1ADRB2 | |
| Trifluoroacetic Acid SCHEMBL6539502 | 0.85 | ADRB3 (0.80) | ADRB3ADRB1ADRB2ALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL6538460 | 0.85 | ADRB3 (0.71) | ADRB3ADRB1ADRB2 |
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-6826033-B2 | BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-11-30 | — | — | US | disclosed |