Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.53 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP3 | P08254 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | MMP12 | P39900 | 2/20 | 0.47 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | MMP14 | P50281 | 2/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP16 | P51512 | 1/20 | 0.47 |
| ▸ | DCLRE1B | Q9H816 | 2/20 | 0.47 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.47 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19987891 | 0.89 | MMP1 (0.50) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL538898 | 0.86 | PTGS1 (0.53) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL5156156 | 0.83 | PTGS1 (0.59) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL11724859 | 0.81 | AKR1B1 (0.59) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL19512828 | 0.79 | PTGS1 (0.61) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL27604738 | 0.79 | PTGS1 (0.57) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL11836950 | 0.77 | PTGS1 (0.52) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL1920727 | 0.77 | PTGS1 (0.55) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL29471363 | 0.77 | TSHR (0.53) | TSHRMMP1MMP2MMP3MMP9 | |
| SCHEMBL503667 | 0.77 | TSHR (0.53) | TSHRMMP1MMP2MMP3MMP9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102659774-A | Piperidine and piperazine derivatives as P2X3 antagonists | HOFFMANN LA ROCHE | 2012-09-12 | — | — | CN | disclosed |
| CN-101282972-A | Piperidine and piperazine derivatives as P2X3 antagonists | HOFFMANN LA ROCHE (CH) | 2008-10-08 | — | — | CN | disclosed |