Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | HAVCR2 | Q8TDQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7451860 | 0.87 | ALDH1A1 (0.58) | ALDH1A1MAOACHRM1PKMHTT | |
| SCHEMBL7450900 | 0.78 | ALDH1A1 (0.59) | ALDH1A1MAOAMAOBMAPTNOX1 | |
| SCHEMBL4219649 | 0.78 | MAOB (0.64) | MAOAMAOBHTTMAPTSMN1; SMN2 | |
| SCHEMBL5097968 | 0.75 | AHR (0.46) | ALDH1A1CHRM1PKMHTTNPSR1 | |
| SCHEMBL88687 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAOAHTTNPSR1MAPT | |
| SCHEMBL7450795 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CHRM1 | |
| SCHEMBL8115442 | 0.71 | SNCA (0.54) | ALDH1A1CHRM1MAPTNOX1 | |
| SCHEMBL30697368 | 0.71 | NOX1 (0.62) | ALDH1A1MAOAHTTNPSR1MAPT | |
| SCHEMBL7673182 | 0.71 | NOX1 (0.62) | ALDH1A1MAOAHTTNPSR1MAPT | |
| SCHEMBL7448295 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011151361-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-12-08 | — | — | WO | disclosed |
| WO-2011151361-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-12-08 | — | — | WO | disclosed |
| EP-0162776-A2 | Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them | LABORATOIRES UPSA (FR) | 1985-11-27 | — | — | EP | disclosed |
| US-4223136-A | 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles | G. D. SEARLE & CO. (US) | 1980-09-16 | — | — | US | disclosed |