Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.69 |
| ▸ | THRB | P10828 | 1/20 | 0.69 |
| ▸ | CASP1 | P29466 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | ABCC9 | O60706 | 3/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL49805 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL23680890 | 0.83 | MMP2 (0.47) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL27564229 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11465491 | 0.80 | TSHR (0.46) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL8373592 | 0.80 | ABCC9 (0.51) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL7522122 | 0.79 | MMP2 (0.55) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 | |
| SCHEMBL6319061 | 0.79 | MMP2 (0.51) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL1844486 | 0.77 | ALDH1A1 (0.86) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL9874686 | 0.77 | ALDH1A1 (0.86) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11482583 | 0.77 | ALDH1A1 (0.86) | ALDH1A1CYP3A4ALOX15TSHRHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019078968-A2 | CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS | ANGEX PHARMACEUTICAL, INC. (US) | 2019-04-25 | — | — | WO | disclosed |
| US-5817877-A | Metal-catalyzed amination of organic sulfonates to organic amines | YALE UNIVERSITY (US) | 1998-10-06 | — | — | US | disclosed |