Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.44 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2807303 | 0.91 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRHSD17B10GAA | |
| SCHEMBL8289563 | 0.83 | ALDH1A1 (0.84) | ALDH1A1HPGDTSHRHSD17B10GAA | |
| SCHEMBL21612947 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HPGDTSHRGAALMNA | |
| Cyclohexane SCHEMBL7825607 | 0.77 | ABCC1 (0.57) | ALDH1A1HPGDLMNATP53NPSR1 | |
| SCHEMBL3490918 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HPGDTSHRGAAKDM4E | |
| SCHEMBL8055683 | 0.73 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRHSD17B10GAA | |
| SCHEMBL3130253 | 0.72 | GPR35 (0.43) | ALDH1A1HPGDHSD17B10LMNATP53 | |
| SCHEMBL3066973 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL8705267 | 0.71 | GRIN2C (0.40) | ALDH1A1HPGDTSHRHSD17B10TP53 | |
| SCHEMBL11344627 | 0.70 | ALDH1A1 (1.00) | ALDH1A1HPGDTSHRHSD17B10GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2005033102-A2 | THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF | AMPHORA DISCOVERY CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |