Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.62 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.56 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL505820 | 0.77 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL506301 | 0.77 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL32670173 | 0.77 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL3043390 | 0.77 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL32670176 | 0.77 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL24991971 | 0.77 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL9315720 | 0.76 | AKR1C3 (0.46) | AKR1C3AKR1C2TAS1R3TAS1R1KDM4E | |
| SCHEMBL5507359 | 0.75 | GPR55 (0.55) | TAS1R3TAS1R1KDM4EALDH1A1CA12 | |
| SCHEMBL7922363 | 0.74 | TAS1R3 (0.52) | TAS1R3TAS1R1KDM4EALDH1A1CA12 | |
| SCHEMBL12301434 | 0.74 | CYP2A6 (0.54) | TAS1R3TAS1R1KDM4EALDH1A1CA12 |
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-5214063-A | 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1993-05-25 | — | — | US | disclosed |