Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29101739 | 0.68 | SLC6A3 (0.38) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL29876796 | 0.63 | SLC6A3 (0.53) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL25155197 | 0.63 | SLC6A3 (0.53) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL27961876 | 0.62 | SLC6A3 (0.41) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL30344006 | 0.61 | SLC6A3 (0.45) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL25155130 | 0.60 | SLC6A3 (0.54) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL30343860 | 0.60 | SLC6A3 (0.54) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL20104711 | 0.59 | SLC6A3 (0.62) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL25155278 | 0.59 | SLC6A3 (0.45) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL16579375 | 0.58 | SLC6A3 (0.45) | ALDH1A1CYP3A4HPGDTSHRKEAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |