Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5778937 | 0.89 | HPGD (0.51) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5778940 | 0.89 | HPGD (0.51) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8352231 | 0.88 | HPGD (0.50) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5841319 | 0.88 | SMYD3 (0.52) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5841315 | 0.88 | SMYD3 (0.52) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3174715 | 0.88 | NPC1 (0.58) | HPGDRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6063550 | 0.87 | SMYD3 (0.51) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5819954 | 0.87 | HPGD (0.49) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8296522 | 0.86 | HPGD (0.48) | HPGDRAB9ANPC1SMN1; SMN2SMYD3 | |
| SCHEMBL6063963 | 0.84 | HPGD (0.46) | HPGDCRHR1RAB9ANPC1SMN1; SMN2 |
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-2003068233-A1 | NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |