Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TNNC1 | P63316 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25288830 | 0.79 | TNNC1 (0.47) | SPHK2SPHK1S1PR1S1PR3TAAR1 | |
| SCHEMBL6947634 | 0.79 | TNNC1 (0.47) | SPHK2SPHK1S1PR1S1PR3TAAR1 | |
| SCHEMBL28700615 | 0.78 | KDM4E (0.40) | IDO1KDM4ELMNATAAR1CYP2A6 | |
| Hydrochloric Acid SCHEMBL17710417 | 0.77 | S1PR1 (0.49) | SPHK2SPHK1S1PR1S1PR3TAAR1 | |
| SCHEMBL21058275 | 0.76 | TAAR1 (0.45) | S1PR1S1PR3TAAR1SLC6A2CYP2A6 | |
| SCHEMBL10766520 | 0.76 | TAAR1 (0.45) | S1PR1S1PR3TAAR1SLC6A2CYP2A6 | |
| SCHEMBL9016870 | 0.76 | TNNC1 (0.53) | SPHK2SPHK1S1PR1S1PR3TNNC1 | |
| SCHEMBL58391 | 0.75 | KDM4E (0.49) | IDO1KDM4ELMNATAAR1CYP2A6 | |
| SCHEMBL3842271 | 0.75 | SMN1; SMN2 (0.43) | IDO1S1PR1S1PR3LMNATAAR1 | |
| Bromide SCHEMBL11785245 | 0.75 | MAOA (0.48) | IDO1S1PR1S1PR3TAAR1CYP2A6 |
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-5705674-A | Process for preparing ortho-nitrobenzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |