Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
| ▸ | CHUK | O15111 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8695545 | 0.87 | HTR6 (0.45) | IKBKBCHUKF2HTR6SLC6A2 | |
| SCHEMBL7445929 | 0.81 | F2 (0.60) | IKBKBCHUKF2HTR6MAP2K1 | |
| SCHEMBL7442091 | 0.75 | F2 (0.66) | F2CTRC | |
| SCHEMBL3325725 | 0.75 | IKBKB (0.53) | IKBKBCHUKPIM1PIM2CHRNB2 | |
| SCHEMBL3325732 | 0.75 | IKBKB (0.53) | IKBKBCHUKPIM1PIM2CHRNB2 | |
| SCHEMBL3444195 | 0.74 | SLC6A2 (0.57) | IKBKBCHUKCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2267290 | 0.74 | SLC6A2 (0.57) | IKBKBCHUKCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL8695784 | 0.74 | HTR6 (0.52) | PIM1PIM2F2HTR6SLC6A2 | |
| Hydrochloric Acid SCHEMBL3325199 | 0.74 | IKBKB (0.52) | IKBKBCHUKPIM1PIM2CHRNB2 | |
| Hydrochloric Acid SCHEMBL3325203 | 0.74 | IKBKB (0.52) | IKBKBCHUKPIM1PIM2CHRNB2 |
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-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | disclosed |