Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | SYK | P43405 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | FOS | P01100 | 1/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22860433 | 1.00 | ALDH1A1 (0.54) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL25003607 | 1.00 | ALDH1A1 (0.54) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL4405587 | 0.82 | ALDH1A1 (0.63) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL25003605 | 0.82 | RAB9A (0.39) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL22860606 | 0.82 | ALDH1A1 (0.59) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL29508808 | 0.82 | ALDH1A1 (0.59) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL22860738 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL13735553 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL574167 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SYKMEN1KMT2AMAPT | |
| SCHEMBL22860692 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SYKMEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3993802-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Nuvation Bio Inc. (US) | 2022-05-11 | — | — | EP | disclosed |