Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.44 |
| ▸ | AR | P10275 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL91913 | 0.97 | AAK1 (0.43) | AAK1ARACHEGRM5CA12 | |
| SCHEMBL10448649 | 0.91 | AAK1 (0.40) | AAK1ARACHEGRM5CA12 | |
| SCHEMBL9512496 | 0.85 | AAK1 (0.38) | AAK1ARGRM5CA12CA2 | |
| SCHEMBL9512290 | 0.84 | FFAR1 (0.39) | AAK1FFAR1MCHR1 | |
| SCHEMBL9508826 | 0.81 | AAK1 (0.36) | AAK1CA12CA2CA9KCNH2 | |
| SCHEMBL9511390 | 0.81 | FFAR1 (0.42) | AAK1FFAR1MCHR1 | |
| SCHEMBL9509326 | 0.81 | AR (0.37) | AAK1ARGRM5CA12CA2 | |
| SCHEMBL12994542 | 0.81 | AAK1 (0.39) | AAK1ACHEGRM5KDM4ENPC1 | |
| SCHEMBL9509953 | 0.80 | CYP2D6 (0.37) | AAK1KCNH2MCHR1 | |
| SCHEMBL4567628 | 0.80 | GRM5 (0.39) | AAK1ARACHEGRM5CA12 |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |