Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8957443 | 0.90 | TSHR (0.42) | IDO1TSHRCA12CA1CA2 | |
| SCHEMBL13738265 | 0.84 | TAAR1 (0.45) | TAAR1HTR2AMAOAMAOBIDO1 | |
| SCHEMBL5150873 | 0.81 | TSHR (0.44) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL5150720 | 0.81 | TSHR (0.36) | IDO1TSHRCA12CA1CA2 | |
| SCHEMBL5150726 | 0.81 | ACHE (0.42) | TAAR1NPC1MAPTRAB9ATSHR | |
| SCHEMBL1491311 | 0.80 | CA1 (0.46) | NPC1RAB9AIDO1CA12CA1 | |
| SCHEMBL13737302 | 0.79 | TAAR1 (0.49) | TAAR1MAOAMAOBIDO1 | |
| SCHEMBL22227479 | 0.77 | CA12 (0.36) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL23927597 | 0.77 | TDP1 (0.47) | MAPTTSHRCA12CA1CA2 | |
| SCHEMBL13396327 | 0.77 | ALDH1A1 (0.45) | NPC1MAPTRAB9ASMN1; SMN2IDO1 |
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-2012152438-A1 | PROCESS FOR THE PREPARATION OF NITRATE ACID ESTER OF ORGANIC COMPOUNDS | NICOX S.A. (FR) | 2012-11-15 | — | — | WO | disclosed |