Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093566 | 0.85 | ADRA2A (0.46) | — | |
| SCHEMBL8091875 | 0.71 | ADRA2A (0.43) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL8085006 | 0.71 | ADRA2A (0.43) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL27500912 | 0.71 | MMP13 (0.35) | KCNH2CYP2D6TBXA2RPTGER4PTGFR | |
| Fumaric Acid SCHEMBL8084690 | 0.70 | TBXA2R (0.43) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Fumaric Acid SCHEMBL8084695 | 0.70 | TBXA2R (0.43) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL11821505 | 0.67 | SLC6A4 (0.49) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL8084748 | 0.67 | CYP11B2 (0.39) | — | |
| SCHEMBL8090880 | 0.66 | MCHR1 (0.32) | — | |
| SCHEMBL8093366 | 0.66 | ADRA2A (0.33) | — |
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-6127396-A | Imidazoline compounds | ADIR ET COMPAGNIE (FR) | 2000-10-03 | — | — | US | disclosed |