Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL18519553 | 0.83 | MAPKAPK2 (0.33) | — | |
| SCHEMBL26640360 | 0.80 | PKM (0.46) | CYP2C19PKMGAACYP1A2MAPT | |
| SCHEMBL18519763 | 0.79 | CYP2C19 (0.44) | CYP2C19GAACYP1A2MAPTRAB9A | |
| SCHEMBL18519550 | 0.79 | MAPT (0.50) | CYP2C19GAACYP1A2MAPTRAB9A | |
| SCHEMBL477465 | 0.77 | CYP2C19 (0.50) | CYP2C19PKMGAACYP1A2MAPT | |
| SCHEMBL6019396 | 0.75 | CYP2C19 (0.51) | CYP2C19PKMGAACYP1A2MAPT | |
| SCHEMBL7913868 | 0.73 | CYP2C19 (0.49) | CYP2C19PKMGAACYP1A2MAPT | |
| SCHEMBL6498913 | 0.73 | MAPT (0.39) | CYP2C19PKMMAPTRAB9ALMNA | |
| SCHEMBL26626463 | 0.72 | CYP2C19 (0.47) | CYP2C19PKMGAACYP1A2MAPT | |
| SCHEMBL115820 | 0.71 | CYP1A2 (0.65) | CYP2C19GAACYP1A2MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017024996-A1 | HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF | 江苏恒瑞医药股份有限公司 | 2017-02-16 | — | — | WO | disclosed |