Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL10456489 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL9615018 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL9615016 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL27469663 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL19209092 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL1798594 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL7525187 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL19209090 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL19243244 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL27736881 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1TSHRCES2 |
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 |