Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9315720 | 0.81 | AKR1C3 (0.46) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL9196674 | 0.75 | MAOB (0.47) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL658890 | 0.72 | MAOB (0.47) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL18313716 | 0.71 | TAS1R3 (0.46) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL702631 | 0.71 | PIM1 (0.64) | TAS1R3TAS1R1MAOBCA12CA1 | |
| Hydrochloric Acid SCHEMBL18305551 | 0.70 | TAS1R3 (0.45) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL29116712 | 0.69 | CPN1 (0.46) | — | |
| SCHEMBL657972 | 0.69 | THRB (0.45) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL19522342 | 0.68 | MAOB (0.45) | TAS1R3TAS1R1MAOBCA12CA1 | |
| SCHEMBL8034219 | 0.68 | TAS1R3 (0.59) | TAS1R3TAS1R1MAOBCA12CA1 |
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-5278166-A | 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1994-01-11 | — | — | US | disclosed |