Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3310896 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HPGDLMNACA12CA9 | |
| SCHEMBL11770064 | 0.92 | ALDH1A1 (0.61) | ALDH1A1HPGDLMNACA12CA9 | |
| SCHEMBL9692960 | 0.92 | ALDH1A1 (0.61) | ALDH1A1HPGDLMNACA12CA9 | |
| SCHEMBL5353880 | 0.91 | ALDH1A1 (0.55) | ALDH1A1HPGDLMNATSHRTDP1 | |
| SCHEMBL3347764 | 0.91 | ALDH1A1 (0.55) | ALDH1A1HPGDLMNACA12CA9 | |
| SCHEMBL2477201 | 0.90 | ALDH1A1 (0.59) | ALDH1A1HPGDLMNATSHRTDP1 | |
| SCHEMBL9631084 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDLMNATSHRTDP1 | |
| SCHEMBL2059032 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDLMNATSHRTDP1 | |
| SCHEMBL780584 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDLMNATSHRTDP1 | |
| SCHEMBL9570308 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDLMNACA12CA9 |
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-2017162536-A1 | VORTIOXETINE PRODRUGS | H. LUNDBECK A/S (DK) | 2017-09-28 | — | — | WO | disclosed |