Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17088438 | 0.93 | HPGD (0.46) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL18245449 | 0.85 | MAOA (0.46) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL10300068 | 0.85 | THRB (0.48) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL23335180 | 0.84 | KDM4E (0.53) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL5887468 | 0.83 | MAOA (0.62) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL10338127 | 0.82 | MAOA (0.51) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL17088439 | 0.82 | MAOA (0.44) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL17088435 | 0.81 | MAOA (0.49) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL18244961 | 0.81 | MAOA (0.49) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL7065085 | 0.81 | KDM4E (0.57) | MAOAMAOBARNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9139774-B2 | Diacetylene derivative and liquid crystalline polymer having diacetylene structure | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2015-09-22 | — | — | US | disclosed |