Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6741658 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL14824577 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL6741725 | 0.89 | ALDH1A1 (0.33) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL10165731 | 0.89 | ALDH1A1 (0.33) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL6741517 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL2475657 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL6741862 | 0.84 | ALDH1A1 (0.32) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL2476778 | 0.83 | ALDH1A1 (0.35) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL6796223 | 0.82 | PKM (0.40) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL17226933 | 0.82 | PKM (0.40) | ALDH1A1TP53TSHRHIF1ACYP3A4 |
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-2374794-B1 | CYCLIC AMINE COMPOUNDS | DAIICHI SANKYO CO LTD (JP) | 2015-11-04 | — | — | EP | disclosed |