Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | LDLR | P01130 | 1/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19209134 | 0.83 | NPC1 (0.42) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL19209133 | 0.83 | NPC1 (0.42) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL19209059 | 0.77 | CYP11B1 (0.33) | ALDH1A1TDP1MAPK1CYP11B2 | |
| SCHEMBL19209058 | 0.77 | CYP11B1 (0.33) | ALDH1A1TDP1MAPK1CYP11B2 | |
| SCHEMBL2219288 | 0.69 | TBXAS1 (0.45) | — | |
| SCHEMBL52612 | 0.68 | — | — | |
| SCHEMBL6208774 | 0.67 | CYP11B1 (0.46) | HPGDSIDO1ALDH1A1MEN1KMT2A | |
| SCHEMBL7995907 | 0.67 | ALDH1A1 (0.54) | ALDH1A1TDP1MAPK1MEN1KMT2A | |
| SCHEMBL566814 | 0.67 | ALDH1A1 (0.54) | ALDH1A1TDP1MAPK1MEN1KMT2A | |
| SCHEMBL566813 | 0.67 | ALDH1A1 (0.54) | ALDH1A1TDP1MAPK1MEN1KMT2A |
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-2017134555-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | EMCURE PHARMACEUTICALS LIMITED (IN) | 2017-08-10 | — | — | WO | disclosed |