Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL27938367 | 0.96 | TSHR (0.43) | IDO1AGXTTSHRCA1CA2 | |
| Cyclopentanamine SCHEMBL27654473 | 0.95 | TRPM8 (0.40) | IDO1AGXTTSHRCA1CA2 | |
| Cyclohexylamine SCHEMBL27570221 | 0.93 | TRPM8 (0.39) | IDO1TSHRMEN1KMT2AKCNH2 | |
| SCHEMBL27536800 | 0.91 | HTR1A (0.44) | TSHRMAOAMAOBKDM1A | |
| Hydrochloric Acid SCHEMBL27514425 | 0.89 | HTR1A (0.43) | AGXTTSHRMAOAMAOBKDM1A | |
| SCHEMBL27772138 | 0.87 | TSHR (0.43) | IDO1TSHRMAOAMAOBCCNB2 | |
| Hydrazine SCHEMBL27604749 | 0.86 | IDO1 (0.50) | IDO1AGXTTSHRCA1CA2 | |
| Benzene SCHEMBL25178056 | 0.86 | TSHR (0.52) | IDO1AGXTTSHRCA1CA2 | |
| SCHEMBL503 | 0.86 | TSHR (0.52) | IDO1AGXTTSHRCA1CA2 | |
| SCHEMBL901056 | 0.86 | TSHR (0.52) | IDO1AGXTTSHRCA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105517574-B | The combination product of hepatitis C virus inhibitors | 百时美施贵宝公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-105517574-A | Combinations of hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2016-04-20 | — | — | CN | disclosed |
| CN-1203058-C | Piperidine derivatives and drugs containing these derivatives as the active ingredient | ONO PHARMACEUTICAL CO (JP) | 2005-05-25 | — | — | CN | disclosed |
| CN-1468219-A | Piperidine derivatives and drugs containing these derivatives as the active ingredient | СҰҩƷ��ҵ��ʽ���� | 2004-01-14 | — | — | CN | disclosed |