Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3339612 | 0.96 | DPP4 (0.43) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL10617916 | 0.90 | HTT (0.43) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL4159821 | 0.89 | DPP4 (0.43) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL27772 | 0.86 | HTT (0.50) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL29253982 | 0.86 | DPP4 (0.42) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL29431520 | 0.86 | HTT (0.50) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10715453 | 0.83 | HTT (0.48) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL347404 | 0.83 | DPP4 (0.40) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL6903601 | 0.83 | HTT (0.48) | DPP4HTTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL3630379 | 0.83 | HTT (0.48) | DPP4HTTCYP1A2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000053635-A | BENZOSULFONE DERIVATIVE | F HOFFMANN LA ROCHE AG | 2000-02-22 | — | — | JP | disclosed |