Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL9099468 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4ESMN1; SMN2NQO1LMNA | |
| SCHEMBL13677596 | 0.78 | BCHE (0.45) | ALDH1A1KDM4EMAPTTSHRCYP2C19 | |
| SCHEMBL8285476 | 0.76 | MTNR1A (0.41) | ALDH1A1SMN1; SMN2MAPTMAPK1NPC1 | |
| SCHEMBL9101850 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2NQO1LMNA | |
| 1,4-Diethoxybenzene SCHEMBL10998185 | 0.73 | NQO1 (0.74) | ALDH1A1KDM4ESMN1; SMN2NQO1LMNA | |
| SCHEMBL13316967 | 0.69 | NQO1 (0.67) | ALDH1A1KDM4ESMN1; SMN2NQO1LMNA | |
| SCHEMBL60209 | 0.69 | NQO1 (0.67) | ALDH1A1KDM4ESMN1; SMN2NQO1LMNA | |
| SCHEMBL3239122 | 0.69 | NQO1 (0.74) | ALDH1A1KDM4ESMN1; SMN2NQO1LMNA | |
| SCHEMBL23303019 | 0.69 | NR5A1 (0.56) | ALDH1A1KDM4ETSHR | |
| SCHEMBL23302987 | 0.69 | NR5A1 (0.56) | ALDH1A1KDM4ETSHR |
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-2020099886-A1 | LOX INHIBITORS | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2020-05-22 | — | — | WO | disclosed |