Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | HEXA | P06865 | 1/20 | 0.35 |
| ▸ | HEXB | P07686 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL27186829 | 0.97 | ALDH1A1 (0.75) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL28027755 | 0.97 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL30092364 | 0.97 | ALDH1A1 (0.75) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL29546473 | 0.89 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| Formaldehyde SCHEMBL20572695 | 0.89 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL593289 | 0.89 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL20572684 | 0.89 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL178488 | 0.87 | — | — | |
| SCHEMBL12354295 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4TP53SMN1; SMN2 | |
| SCHEMBL3791674 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1CYP3A4TP53 |
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-3643720-A1 | ORGANIC COMPOUNDS, ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE | Novaled GmbH (DE) | 2020-04-29 | — | — | EP | disclosed |