Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL27323028 | 0.88 | ACHE (0.70) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| Tetrahydrofuran SCHEMBL28758491 | 0.85 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| Anisole SCHEMBL8850339 | 0.84 | CA4 (0.64) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| Anisole SCHEMBL9859483 | 0.83 | CA4 (0.61) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| Anisole SCHEMBL9436549 | 0.83 | CA4 (0.61) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| Tetrahydrofuran SCHEMBL10496391 | 0.82 | NPC1 (0.52) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| Tetrahydrofuran SCHEMBL28758490 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TSHRNPSR1L3MBTL1 | |
| 1,4-Dimethoxybenzene SCHEMBL29157786 | 0.81 | CA1 (0.58) | ALDH1A1SMN1; SMN2NPSR1L3MBTL1ACHE | |
| Tetrahydrofuran SCHEMBL28746816 | 0.81 | HRH3 (0.47) | ALDH1A1SMN1; SMN2TSHRNPSR1 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.81 | ACHE (0.70) | ALDH1A1SMN1; SMN2ACHECYP3A4CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1142768-A | Use of PLA2 inhibitors as treatment for Alzheimer's disease | LILLY CO ELI (US) | 1997-02-12 | — | — | CN | disclosed |