Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7854555 | 0.83 | CYP2D6 (0.40) | CYP2D6HRH3CHRNA7KCNH2MMP9 | |
| SCHEMBL18704906 | 0.79 | MMP9 (0.40) | CYP2D6HRH3MMP9MMP13MMP1 | |
| SCHEMBL16132810 | 0.78 | CHRNA7 (0.39) | CYP2D6HRH3CHRNA7KCNH2CHRM1 | |
| SCHEMBL20148015 | 0.78 | MMP9 (0.36) | CYP2D6HRH3MMP9MMP13MMP1 | |
| SCHEMBL20793495 | 0.77 | FFAR3 (0.44) | CYP2D6HRH3PARP1FFAR3CHRM1 | |
| SCHEMBL27420585 | 0.77 | PARP1 (0.33) | CYP2D6HRH3PARP1FFAR3 | |
| SCHEMBL27424073 | 0.75 | PARP1 (0.38) | CYP2D6HRH3PARP1 | |
| SCHEMBL21652003 | 0.75 | MMP9 (0.35) | CYP2D6HRH3MMP9MMP13MMP1 | |
| SCHEMBL25504417 | 0.74 | CYP2C19 (0.38) | CYP2D6HRH3MMP9MMP13MMP1 | |
| SCHEMBL10098670 | 0.73 | CYP2D6 (0.42) | CYP2D6HRH3CHRNA7MMP9MMP13 |
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-109923108-A | Pyridyl-substituted indole compounds | 百时美施贵宝公司 | 2019-06-21 | — | — | CN | claimed |
| CN-109923108-A | Pyridyl-substituted indole compounds | 百时美施贵宝公司 | 2019-06-21 | — | — | CN | disclosed |